637-53-6,MFCD00004942
Catalog No.:AA003UPE

637-53-6 | Thioacetanilide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$14.00   $10.00
- +
1g
98%
in stock  
$35.00   $25.00
- +
5g
98%
in stock  
$122.00   $86.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003UPE
Chemical Name:
Thioacetanilide
CAS Number:
637-53-6
Molecular Formula:
C8H9NS
Molecular Weight:
151.2288
MDL Number:
MFCD00004942
SMILES:
CC(=S)Nc1ccccc1
NSC Number:
36984
Properties
Properties
 
Form:
Solid  
MP:
76-79℃ (lit.)  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
116  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Qian,Xiang-Yang;Li,Shu-Qi;Song,Jinshuai;Xu,Hai-Chao[ACSCatalysis,2017,vol.7,#4,p.2730-2734]

[2]Jacobson[ChemischeBerichte,1886,vol.19,p.1072]

[3]Shaik,ThokhirB.;Hussaini,S.M.Ali;Nayak,V.Lakshma;Sucharitha,M.Lakshmi;Malik,M.Shaheer;Kamal,Ahmed[BioorganicandMedicinalChemistryLetters,2017,vol.27,#11,p.2549-2558]

[1]Xu,Ning;Jin,Xiongjie;Suzuki,Kosuke;Yamaguchi,Kazuya;Mizuno,Noritaka[NewJournalofChemistry,2016,vol.40,#6,p.4865-4869]

[2]Yadav,ArvindK.;Srivastava,VishnuP.;Yadav,LalDharS.[NewJournalofChemistry,2013,vol.37,#12,p.4119-4124]

[3]Kim,YongHae;Lim,SangChul;Chang,HaeSung[JournaloftheChemicalSociety.Chemicalcommunications,1990,#1,p.36-37]

[4]Lee,Kieseung;Lee,RichardS.;Kim,YongHae[SyntheticCommunications,2020,vol.50,#12,p.1774-1779]

[5]Movassagh,Barahman;Meibodi,Forhatosadat;Sobhani,Shahin[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2002,vol.41,#6,p.1296-1298]

[6]Movassagh;Lakouraj;Ghodrati[SyntheticCommunications,2000,vol.30,#13,p.2353-2358]

[7]Movassagh;Lakouraj;Gholami[Phosphorus,SulfurandSiliconandtheRelatedElements,2003,vol.178,#7,p.1507-1511]Movassagh;Lakouraj;Gholami[Phosphorus,SulfurandSiliconandtheRelatedElements,2003,vol.178,#9,p.1943-1947]

[8]Dhar,DurgaNath;Bag,AmalKumar[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1985,vol.24,p.445-446]

[9]Borthakur,N;Goswami,A[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1993,vol.32,#7,p.800-801]

[10]Locationinpatent:bodytextHuang,Peng;Fu,Xiaolan;Liang,Yongjiu;Zhang,Rui;Dong,Dewen[AustralianJournalofChemistry,2012,vol.65,#2,p.121-128]

[11]Raffo;Balduzzi[GazzettaChimicaItaliana,1917,vol.47I,p.69]

[1]Kaleta,Zoltan;Makowski,BrianT.;Soos,Tibor;Dembinski,Roman[OrganicLetters,2006,vol.8,#8,p.1625-1628]

[2]Kaleta,Zoltan;Tarkanyi,Gabor;Goemoery,Agnes;Kalman,Ferenc;Nagy,Tamas;Soos,Tibor[OrganicLetters,2006,vol.8,#6,p.1093-1095]

[3]Varma,RajenderS.;Kumar,Dalip[OrganicLetters,1999,vol.1,#5,p.697-700]

[4]Koduri,NagaD.;Wang,Zhiguo;Cannell,Garrett;Cooley,Kate;Lemma,TsebaotMesfin;Miao,Kun;Nguyen,Michael;Frohock,Bram;Castaneda,Maria;Scott,Halee;Albinescu,Dragos;Hussaini,SyedR.[JournalofOrganicChemistry,2014,vol.79,#16,p.7405-7414]

[5]Raucher,Stanley;Klein,Peter[TetrahedronLetters,1980,vol.21,#42,p.4061-4064]

[6]Yde,B.;Yousif,N.M.;Pedersen,U.;Thomsen,I.;Lawesson,S.-O.[Tetrahedron,1984,vol.40,#11,p.2047-2052]

[7]Curphey,ThomasJ.[JournalofOrganicChemistry,2002,vol.67,#18,p.6461-6473]

[8]Pathak,Uma;Pandey,LokeshKumar;Tank,Rekha[JournalofOrganicChemistry,2008,vol.73,#7,p.2890-2893]

[9]Polshettiwar,Vivek;Kaushik[TetrahedronLetters,2006,vol.47,#14,p.2315-2317]

[10]Song,Shuyi;Hyodo,Tadashi;Ikeda,Hirotaka;Vu,KimAnhL.;Tang,Yulan;Chan,ErikaS.;Otani,Yuko;Inagaki,Satoshi;Yamaguchi,Kentaro;Ohwada,Tomohiko[JournalofOrganicChemistry,2022,vol.87,#3,p.1641-1660]

[11]Fukumoto,Kozo;Sakai,Akane;Hayasaka,Kazumasa;Nakazawa,Hiroshi[Organometallics,2013,vol.32,#10,p.2889-2892]

[12]Mizuno;Watanabe[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1948,vol.68,p.250][Chem.Abstr.,1954,p.4457]

[13]Hofmann,A.W.[ChemischeBerichte,1878,vol.11,p.339]

[14]Jacobson[ChemischeBerichte,1886,vol.19,p.1072]

[15]Leo[ChemischeBerichte,1877,vol.10,p.2134]

[16]Browningetal.[ProceedingsoftheRoyalSocietyofLondon.SeriesB,Biologicalsciences,1931,vol.108,p.119,126]Kiprianow;Sytnik;Sytsch[ZhurnalObshcheiKhimii,1936,vol.6,p.42,47][ChemischesZentralblatt,1936,vol.107,#I,p.4654]

[17]Scheibye;Pedersen;Lawesson[BulletindesSocietesChimiquesBelges,1978,vol.87,#3,p.229-238]

[18]Movassagh,Barahman;Meibodi,Forhatosadat;Sobhani,Shahin[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2002,vol.41,#6,p.1296-1298]

[19]Wu,Dong-Qing;He,Jian-Li;Wang,Jun-Ke;Wang,Xi-Cun;Zong,Ying-Xiao[JournalofChemicalResearch,2006,#5,p.293-294]

[20]Ley,StevenV.;Leach,AndrewG.;Storer,R.Ian[JournaloftheChemicalSociety.PerkinTransactions1(2001),2001,#4,p.358-361]

[21]Locationinpatent:experimentalpartPandey,LokeshKumar;Pathak,Uma;Mazumder,Avik;Mathura,Sweta[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2010,vol.49,#9,p.1225-1228]

[22]Fuchibe,Kohei;Bando,Masaki;Takayama,Ryo;Ichikawa,Junji[JournalofFluorineChemistry,2015,vol.171,p.133-138]

[23]Shaik,ThokhirB.;Hussaini,S.M.Ali;Nayak,V.Lakshma;Sucharitha,M.Lakshmi;Malik,M.Shaheer;Kamal,Ahmed[BioorganicandMedicinalChemistryLetters,2017,vol.27,#11,p.2549-2558]

[24]CurrentPatentAssignee:I.G.FARBENINDUSTRIEAG(historic)-DE741109,1941,C[DRP/DRBPOrg.Chem.][DRP/DRBPOrg.Chem.]

[1]Maringgele,W.;Meller,A.[MonatsheftefurChemie,1977,vol.108,p.751-756]

[1]Zelenskaya;Kozinskii;Nazarenko;Ranskii[JournalofappliedchemistryoftheUSSR,1984,vol.57,#5pt2,p.1071-1072]

[2]Aswad,Muhammad;Chiba,Junya;Tomohiro,Takenori;Hatanaka,Yasumaru[TetrahedronLetters,2016,vol.57,#12,p.1313-1316]

Literature

Title: Arylazolyl(azinyl)thioacetanilides. Part 10: design, synthesis and biological evaluation of novel substituted imidazopyridinylthioacetanilides as potent HIV-1 inhibitors.

Journal: Bioorganic & medicinal chemistry 20120915

Title: 1,2,3-thiadiazole thioacetanilides. Part 2: Synthesis and biological evaluation of a new series of 2-{[4-(3,4-dichlorophenyl)-1,2,3-thiadiazol-5-yl]sulfanyl}acetanilides as HIV-1 inhibitors.

Journal: Chemistry & biodiversity 20100701

Title: 1,2,3-Selenadiazole thioacetanilides: synthesis and anti-HIV activity evaluation.

Journal: Bioorganic & medicinal chemistry 20090901

Title: Synthesis and biological evaluation of imidazole thioacetanilides as novel non-nucleoside HIV-1 reverse transcriptase inhibitors.

Journal: Bioorganic & medicinal chemistry 20090815

Title: 1,2,3-Thiadiazole thioacetanilides as a novel class of potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20081015

Title: Thioacetanilide at 120 K.

Journal: Acta crystallographica. Section C, Crystal structure communications 20080801

Title: Application of beta-(2-chloroaroyl) thioacetanilides in synthesis: an unusual and highly efficient access to thiochromeno[2,3-b]pyridine derivatives.

Journal: The Journal of organic chemistry 20080307

Title: Synthesis and biological evaluation of new 3-substituted indole derivatives as potential anti-inflammatory and analgesic agents.

Journal: Bioorganic & medicinal chemistry 20070601

Title: Synthesis, anticonvulsant, and anti-inflammatory evaluation of some new benzotriazole and benzofuran-based heterocycles.

Journal: Bioorganic & medicinal chemistry 20060601

Title: Tetrazole thioacetanilides: potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant.

Journal: Bioorganic & medicinal chemistry letters 20060515

Title: Optical analysis of the cirrhotic liver by near-infrared time-resolved spectroscopy.

Journal: Surgery today 20040101

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Related Products of 637-53-6
Tags:637-53-6 Molecular Formula|637-53-6 MDL|637-53-6 SMILES|637-53-6 Thioacetanilide
Catalog No.: AA003UPE
637-53-6,MFCD00004942
637-53-6 | Thioacetanilide
Pack Size: 250mg
Purity: 98%
in stock
$14.00 $10.00
Pack Size: 1g
Purity: 98%
in stock
$35.00 $25.00
Pack Size: 5g
Purity: 98%
in stock
$122.00 $86.00
Quantity
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Technical Information
Catalog Number: AA003UPE
Chemical Name: Thioacetanilide
CAS Number: 637-53-6
Molecular Formula: C8H9NS
Molecular Weight: 151.2288
MDL Number: MFCD00004942
SMILES: CC(=S)Nc1ccccc1
NSC Number: 36984
Properties
Form: Solid  
MP: 76-79℃ (lit.)  
Storage: Room Temperature;Keep in dry area;  
Complexity: 116  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
637-53-6    120-75-2 

[1]Qian,Xiang-Yang;Li,Shu-Qi;Song,Jinshuai;Xu,Hai-Chao[ACSCatalysis,2017,vol.7,#4,p.2730-2734]

[2]Jacobson[ChemischeBerichte,1886,vol.19,p.1072]

[3]Shaik,ThokhirB.;Hussaini,S.M.Ali;Nayak,V.Lakshma;Sucharitha,M.Lakshmi;Malik,M.Shaheer;Kamal,Ahmed[BioorganicandMedicinalChemistryLetters,2017,vol.27,#11,p.2549-2558]

637-53-6    103-84-4 

[1]Xu,Ning;Jin,Xiongjie;Suzuki,Kosuke;Yamaguchi,Kazuya;Mizuno,Noritaka[NewJournalofChemistry,2016,vol.40,#6,p.4865-4869]

[2]Yadav,ArvindK.;Srivastava,VishnuP.;Yadav,LalDharS.[NewJournalofChemistry,2013,vol.37,#12,p.4119-4124]

[3]Kim,YongHae;Lim,SangChul;Chang,HaeSung[JournaloftheChemicalSociety.Chemicalcommunications,1990,#1,p.36-37]

[4]Lee,Kieseung;Lee,RichardS.;Kim,YongHae[SyntheticCommunications,2020,vol.50,#12,p.1774-1779]

[5]Movassagh,Barahman;Meibodi,Forhatosadat;Sobhani,Shahin[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2002,vol.41,#6,p.1296-1298]

[6]Movassagh;Lakouraj;Ghodrati[SyntheticCommunications,2000,vol.30,#13,p.2353-2358]

[7]Movassagh;Lakouraj;Gholami[Phosphorus,SulfurandSiliconandtheRelatedElements,2003,vol.178,#7,p.1507-1511]Movassagh;Lakouraj;Gholami[Phosphorus,SulfurandSiliconandtheRelatedElements,2003,vol.178,#9,p.1943-1947]

[8]Dhar,DurgaNath;Bag,AmalKumar[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1985,vol.24,p.445-446]

[9]Borthakur,N;Goswami,A[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1993,vol.32,#7,p.800-801]

[10]Locationinpatent:bodytextHuang,Peng;Fu,Xiaolan;Liang,Yongjiu;Zhang,Rui;Dong,Dewen[AustralianJournalofChemistry,2012,vol.65,#2,p.121-128]

[11]Raffo;Balduzzi[GazzettaChimicaItaliana,1917,vol.47I,p.69]

103-84-4    637-53-6 

[1]Kaleta,Zoltan;Makowski,BrianT.;Soos,Tibor;Dembinski,Roman[OrganicLetters,2006,vol.8,#8,p.1625-1628]

[2]Kaleta,Zoltan;Tarkanyi,Gabor;Goemoery,Agnes;Kalman,Ferenc;Nagy,Tamas;Soos,Tibor[OrganicLetters,2006,vol.8,#6,p.1093-1095]

[3]Varma,RajenderS.;Kumar,Dalip[OrganicLetters,1999,vol.1,#5,p.697-700]

[4]Koduri,NagaD.;Wang,Zhiguo;Cannell,Garrett;Cooley,Kate;Lemma,TsebaotMesfin;Miao,Kun;Nguyen,Michael;Frohock,Bram;Castaneda,Maria;Scott,Halee;Albinescu,Dragos;Hussaini,SyedR.[JournalofOrganicChemistry,2014,vol.79,#16,p.7405-7414]

[5]Raucher,Stanley;Klein,Peter[TetrahedronLetters,1980,vol.21,#42,p.4061-4064]

[6]Yde,B.;Yousif,N.M.;Pedersen,U.;Thomsen,I.;Lawesson,S.-O.[Tetrahedron,1984,vol.40,#11,p.2047-2052]

[7]Curphey,ThomasJ.[JournalofOrganicChemistry,2002,vol.67,#18,p.6461-6473]

[8]Pathak,Uma;Pandey,LokeshKumar;Tank,Rekha[JournalofOrganicChemistry,2008,vol.73,#7,p.2890-2893]

[9]Polshettiwar,Vivek;Kaushik[TetrahedronLetters,2006,vol.47,#14,p.2315-2317]

[10]Song,Shuyi;Hyodo,Tadashi;Ikeda,Hirotaka;Vu,KimAnhL.;Tang,Yulan;Chan,ErikaS.;Otani,Yuko;Inagaki,Satoshi;Yamaguchi,Kentaro;Ohwada,Tomohiko[JournalofOrganicChemistry,2022,vol.87,#3,p.1641-1660]

[11]Fukumoto,Kozo;Sakai,Akane;Hayasaka,Kazumasa;Nakazawa,Hiroshi[Organometallics,2013,vol.32,#10,p.2889-2892]

[12]Mizuno;Watanabe[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1948,vol.68,p.250][Chem.Abstr.,1954,p.4457]

[13]Hofmann,A.W.[ChemischeBerichte,1878,vol.11,p.339]

[14]Jacobson[ChemischeBerichte,1886,vol.19,p.1072]

[15]Leo[ChemischeBerichte,1877,vol.10,p.2134]

[16]Browningetal.[ProceedingsoftheRoyalSocietyofLondon.SeriesB,Biologicalsciences,1931,vol.108,p.119,126]Kiprianow;Sytnik;Sytsch[ZhurnalObshcheiKhimii,1936,vol.6,p.42,47][ChemischesZentralblatt,1936,vol.107,#I,p.4654]

[17]Scheibye;Pedersen;Lawesson[BulletindesSocietesChimiquesBelges,1978,vol.87,#3,p.229-238]

[18]Movassagh,Barahman;Meibodi,Forhatosadat;Sobhani,Shahin[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2002,vol.41,#6,p.1296-1298]

[19]Wu,Dong-Qing;He,Jian-Li;Wang,Jun-Ke;Wang,Xi-Cun;Zong,Ying-Xiao[JournalofChemicalResearch,2006,#5,p.293-294]

[20]Ley,StevenV.;Leach,AndrewG.;Storer,R.Ian[JournaloftheChemicalSociety.PerkinTransactions1(2001),2001,#4,p.358-361]

[21]Locationinpatent:experimentalpartPandey,LokeshKumar;Pathak,Uma;Mazumder,Avik;Mathura,Sweta[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2010,vol.49,#9,p.1225-1228]

[22]Fuchibe,Kohei;Bando,Masaki;Takayama,Ryo;Ichikawa,Junji[JournalofFluorineChemistry,2015,vol.171,p.133-138]

[23]Shaik,ThokhirB.;Hussaini,S.M.Ali;Nayak,V.Lakshma;Sucharitha,M.Lakshmi;Malik,M.Shaheer;Kamal,Ahmed[BioorganicandMedicinalChemistryLetters,2017,vol.27,#11,p.2549-2558]

[24]CurrentPatentAssignee:I.G.FARBENINDUSTRIEAG(historic)-DE741109,1941,C[DRP/DRBPOrg.Chem.][DRP/DRBPOrg.Chem.]

637-53-6    63791-32-2 

[1]Maringgele,W.;Meller,A.[MonatsheftefurChemie,1977,vol.108,p.751-756]

941-55-9    637-53-6    27049-62-3 

[1]Zelenskaya;Kozinskii;Nazarenko;Ranskii[JournalofappliedchemistryoftheUSSR,1984,vol.57,#5pt2,p.1071-1072]

[2]Aswad,Muhammad;Chiba,Junya;Tomohiro,Takenori;Hatanaka,Yasumaru[TetrahedronLetters,2016,vol.57,#12,p.1313-1316]

Literature fold

Title: Arylazolyl(azinyl)thioacetanilides. Part 10: design, synthesis and biological evaluation of novel substituted imidazopyridinylthioacetanilides as potent HIV-1 inhibitors.

Journal: Bioorganic & medicinal chemistry20120915

Title: 1,2,3-thiadiazole thioacetanilides. Part 2: Synthesis and biological evaluation of a new series of 2-{[4-(3,4-dichlorophenyl)-1,2,3-thiadiazol-5-yl]sulfanyl}acetanilides as HIV-1 inhibitors.

Journal: Chemistry & biodiversity20100701

Title: 1,2,3-Selenadiazole thioacetanilides: synthesis and anti-HIV activity evaluation.

Journal: Bioorganic & medicinal chemistry20090901

Title: Synthesis and biological evaluation of imidazole thioacetanilides as novel non-nucleoside HIV-1 reverse transcriptase inhibitors.

Journal: Bioorganic & medicinal chemistry20090815

Title: 1,2,3-Thiadiazole thioacetanilides as a novel class of potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

Journal: Bioorganic & medicinal chemistry letters20081015

Title: Thioacetanilide at 120 K.

Journal: Acta crystallographica. Section C, Crystal structure communications20080801

Title: Application of beta-(2-chloroaroyl) thioacetanilides in synthesis: an unusual and highly efficient access to thiochromeno[2,3-b]pyridine derivatives.

Journal: The Journal of organic chemistry20080307

Title: Synthesis and biological evaluation of new 3-substituted indole derivatives as potential anti-inflammatory and analgesic agents.

Journal: Bioorganic & medicinal chemistry20070601

Title: Synthesis, anticonvulsant, and anti-inflammatory evaluation of some new benzotriazole and benzofuran-based heterocycles.

Journal: Bioorganic & medicinal chemistry20060601

Title: Tetrazole thioacetanilides: potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant.

Journal: Bioorganic & medicinal chemistry letters20060515

Title: Optical analysis of the cirrhotic liver by near-infrared time-resolved spectroscopy.

Journal: Surgery today20040101

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