1227-45-8,MFCD00025792
Catalog No.:AA000IXQ

1227-45-8 | 1,3-Bis(4-methoxyphenyl)thiourea

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$61.00   $43.00
- +
10g
95%
in stock  
$90.00   $63.00
- +
25g
98%
in stock  
$169.00   $118.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000IXQ
Chemical Name:
1,3-Bis(4-methoxyphenyl)thiourea
CAS Number:
1227-45-8
Molecular Formula:
C15H16N2O2S
Molecular Weight:
288.3647
MDL Number:
MFCD00025792
SMILES:
COc1ccc(cc1)NC(=S)Nc1ccc(cc1)OC
NSC Number:
164990
Properties
Computed Properties
 
Complexity:
270  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Halimehjani,AzimZiyaei;Farahbakhsh,Fataneh[JournalofSulfurChemistry,2013,vol.34,#3,p.284-288]

[2]Zhang,Ze;Wu,Hao-Hao;Tan,Ya-Jun[RSCAdvances,2013,vol.3,#38,p.16940-16944]

[3]Meng,Ge;Zheng,Meilin;Dong,Mengshu;Wang,Mei;Zheng,Aqun;Guo,Zengjun[JournalofHeterocyclicChemistry,2016,vol.53,#2,p.588-594]

[4]Ballini,Roberto;Bosica,Giovanna;Fiorini,Dennis;Maggi,Raimondo;Righi,Paolo;Sartori,Giovanni;Sartorio,Raffaella[TetrahedronLetters,2002,vol.43,#47,p.8445-8447]

[5]Azizi,Najmedin;Farhadi,Elham[JournalofSulfurChemistry,2017,vol.38,#5,p.548-554]

[6]Salkowski[ChemischeBerichte,1874,vol.7,p.1012]

[7]v.Braun;Beschke[ChemischeBerichte,1906,vol.39,p.4377]

[8]Ferber;Schmolke[JournalfurpraktischeChemie(Leipzig1954),1940,vol.<2>155,p.234,238]

[9]Dienske[RecueildesTravauxChimiquesdesPays-Bas,1931,vol.50,p.407,408]

[10]Ali,M.Umar;Meshram,H.M.;Paranjpe,M.G.[JournaloftheIndianChemicalSociety,1985,vol.62,#9,p.666-669]

[11]Locationinpatent:experimentalpartBollini,Mariela;Casal,JuanJose;Alvarez,DiegoE.;Boiani,Lucia;Gonzalez,Mercedes;Cerecetto,Hugo;Bruno,AnaMaria[BioorganicandMedicinalChemistry,2009,vol.17,#4,p.1437-1444]

[12]Locationinpatent:schemeortablePan,Bin;Huang,Ren-Zheng;Han,Shi-Qing;Qu,Di;Zhu,Ming-Li;Wei,Ping;Ying,Han-Jie[BioorganicandMedicinalChemistryLetters,2010,vol.20,#8,p.2461-2464]

[13]Locationinpatent:schemeortablePan,Bin;Huang,Renzheng;Zheng,Likang;Chen,Chen;Han,Shiqing;Qu,Di;Zhu,Mingli;Wei,Ping[EuropeanJournalofMedicinalChemistry,2011,vol.46,#3,p.819-824]

[14]Feng,Yian;Zou,Minming;Song,Runjiang;Shao,Xusheng;Li,Zhong;Qian,Xuhong[JournalofOrganicChemistry,2016,vol.81,#21,p.10321-10327]

[15]CurrentPatentAssignee:Riedel-DE68706,1800,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.3,p.914][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.3,p.914]

[16]Dong,Guoqiang;Liu,Yang;Wu,Ying;Tu,Jie;Chen,Shuqiang;Liu,Na;Sheng,Chunquan[ChemicalCommunications,2018,vol.54,#96,p.13535-13538]

[17]Abd-Elaziz,ArwaM.;Aly,HalaM.;Saleh,NashwaM.;Fouad,SawsanA.;Ismail,AblaA.;Fouda,Amr[JournaloftheIranianChemicalSociety,2022,vol.19,#6,p.2279-2296]

[1]Locationinpatent:experimentalpartTripathi,ChandraBhushan;Mukherjee,Santanu[JournalofOrganicChemistry,2012,vol.77,#3,p.1592-1598]

[2]Dyson;George[JournaloftheChemicalSociety,1924,vol.125,p.1704]

[3]CurrentPatentAssignee:BIOMARINPHARMACEUTICALINC-WO2017/214505,2017,A1Locationinpatent:Paragraph0001043;0001044

[1]Strukil,Vjekoslav;Igrc,MarinaD.;Fabian,Laszlo;Eckert-Maksic,Mirjana;Childs,ScottL.;Reid,DavidG.;Duer,MelindaJ.;Halasz,Ivan;Mottillo,Cristina;Friscic,Tomislav[GreenChemistry,2012,vol.14,#9,p.2462-2473]

[2]Kelley,MatthewR.;Rohde,Jan-Uwe[InorganicChemistry,2013,vol.52,#5,p.2564-2580]

[3]Dyson;George;Hunter[JournaloftheChemicalSociety,1927,p.440]

[4]Campbell;Campbell;Patelski[ProceedingsoftheIndianaAcademyofScience,1943,vol.53,p.119]

[5]Natarajan,Amarnath;Guo,Yuhong;Arthanari,Haribabu;Wagner,Gerhard;Halperin,JoseA.;Chorev,Michael[JournalofOrganicChemistry,2005,vol.70,#16,p.6362-6368]

[6]Muccioli,GiulioG.;Wouters,Johan;Charlier,Caroline;Scriba,GerhardK.E.;Pizza,Teresa;DiPace,Pierluigi;DeMartino,Paolo;Poppitz,Wolfgang;Poupaert,JacquesH.;Lambert,DidierM.[JournalofMedicinalChemistry,2006,vol.49,#3,p.872-882]

[7]Guin,Srimanta;Rout,SarojKumar;Gogoi,Anupal;Nandi,Shyamapada;Ghara,KrishnaKanta;Patel,BhismaK.[AdvancedSynthesisandCatalysis,2012,vol.354,#14-15,p.2757-2770]

[8]Wu,He;Sun,Yan-Fang;Zhang,Chen;Miao,Chun-Bao;Yang,Hai-Tao[TetrahedronLetters,2018,vol.59,#8,p.739-742]

[9]Chandrasekhar,Attoor;Ramkumar,Venkatachalam;Sankararaman,Sethuraman[Organicandbiomolecularchemistry,2018,vol.16,#44,p.8629-8638]

[10]Yuan,Wen-Kui;Liu,YanFang;Lan,Zhenggang;Wen,Li-Rong;Li,Ming[OrganicLetters,2018,vol.20,#22,p.7158-7162]

[1]Mizzoni;Eisman[JournaloftheAmericanChemicalSociety,1958,vol.80,p.3471,3472]

[1]Meng,Ge;Zheng,Meilin;Dong,Mengshu;Wang,Mei;Zheng,Aqun;Guo,Zengjun[JournalofHeterocyclicChemistry,2016,vol.53,#2,p.588-594]

[2]Bhargava[JournaloftheAmericanChemicalSociety,1951,vol.73,p.2353,2354][BulletinoftheChemicalSocietyofJapan,1951,vol.24,p.51,52]

[3]Locationinpatent:schemeortablePan,Bin;Huang,Ren-Zheng;Han,Shi-Qing;Qu,Di;Zhu,Ming-Li;Wei,Ping;Ying,Han-Jie[BioorganicandMedicinalChemistryLetters,2010,vol.20,#8,p.2461-2464]

[4]Locationinpatent:schemeortablePan,Bin;Huang,Renzheng;Zheng,Likang;Chen,Chen;Han,Shiqing;Qu,Di;Zhu,Mingli;Wei,Ping[EuropeanJournalofMedicinalChemistry,2011,vol.46,#3,p.819-824]

[5]Meng,Ge;Zheng,Meilin;Wang,Mei;Tong,Jing;Ge,Weijuan;Zhang,Jiehe;Zheng,Aqun;Li,Jingya;Gao,Lixin;Li,Jia[EuropeanJournalofMedicinalChemistry,2016,vol.122,p.756-769]

Literature

Title: 1,3-Bis(2-meth-oxy-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Antimycobacterial activities of isoxyl and new derivatives through the inhibition of mycolic acid synthesis.

Journal: Antimicrobial agents and chemotherapy 19990501

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Tags:1227-45-8 Molecular Formula|1227-45-8 MDL|1227-45-8 SMILES|1227-45-8 1,3-Bis(4-methoxyphenyl)thiourea
Catalog No.: AA000IXQ
1227-45-8,MFCD00025792
1227-45-8 | 1,3-Bis(4-methoxyphenyl)thiourea
Pack Size: 5g
Purity: 95%
in stock
$61.00 $43.00
Pack Size: 10g
Purity: 95%
in stock
$90.00 $63.00
Pack Size: 25g
Purity: 98%
in stock
$169.00 $118.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA000IXQ
Chemical Name: 1,3-Bis(4-methoxyphenyl)thiourea
CAS Number: 1227-45-8
Molecular Formula: C15H16N2O2S
Molecular Weight: 288.3647
MDL Number: MFCD00025792
SMILES: COc1ccc(cc1)NC(=S)Nc1ccc(cc1)OC
NSC Number: 164990
Properties
Complexity: 270  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
75-15-0    104-94-9    1227-45-8 

[1]Halimehjani,AzimZiyaei;Farahbakhsh,Fataneh[JournalofSulfurChemistry,2013,vol.34,#3,p.284-288]

[2]Zhang,Ze;Wu,Hao-Hao;Tan,Ya-Jun[RSCAdvances,2013,vol.3,#38,p.16940-16944]

[3]Meng,Ge;Zheng,Meilin;Dong,Mengshu;Wang,Mei;Zheng,Aqun;Guo,Zengjun[JournalofHeterocyclicChemistry,2016,vol.53,#2,p.588-594]

[4]Ballini,Roberto;Bosica,Giovanna;Fiorini,Dennis;Maggi,Raimondo;Righi,Paolo;Sartori,Giovanni;Sartorio,Raffaella[TetrahedronLetters,2002,vol.43,#47,p.8445-8447]

[5]Azizi,Najmedin;Farhadi,Elham[JournalofSulfurChemistry,2017,vol.38,#5,p.548-554]

[6]Salkowski[ChemischeBerichte,1874,vol.7,p.1012]

[7]v.Braun;Beschke[ChemischeBerichte,1906,vol.39,p.4377]

[8]Ferber;Schmolke[JournalfurpraktischeChemie(Leipzig1954),1940,vol.<2>155,p.234,238]

[9]Dienske[RecueildesTravauxChimiquesdesPays-Bas,1931,vol.50,p.407,408]

[10]Ali,M.Umar;Meshram,H.M.;Paranjpe,M.G.[JournaloftheIndianChemicalSociety,1985,vol.62,#9,p.666-669]

[11]Locationinpatent:experimentalpartBollini,Mariela;Casal,JuanJose;Alvarez,DiegoE.;Boiani,Lucia;Gonzalez,Mercedes;Cerecetto,Hugo;Bruno,AnaMaria[BioorganicandMedicinalChemistry,2009,vol.17,#4,p.1437-1444]

[12]Locationinpatent:schemeortablePan,Bin;Huang,Ren-Zheng;Han,Shi-Qing;Qu,Di;Zhu,Ming-Li;Wei,Ping;Ying,Han-Jie[BioorganicandMedicinalChemistryLetters,2010,vol.20,#8,p.2461-2464]

[13]Locationinpatent:schemeortablePan,Bin;Huang,Renzheng;Zheng,Likang;Chen,Chen;Han,Shiqing;Qu,Di;Zhu,Mingli;Wei,Ping[EuropeanJournalofMedicinalChemistry,2011,vol.46,#3,p.819-824]

[14]Feng,Yian;Zou,Minming;Song,Runjiang;Shao,Xusheng;Li,Zhong;Qian,Xuhong[JournalofOrganicChemistry,2016,vol.81,#21,p.10321-10327]

[15]CurrentPatentAssignee:Riedel-DE68706,1800,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.3,p.914][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.3,p.914]

[16]Dong,Guoqiang;Liu,Yang;Wu,Ying;Tu,Jie;Chen,Shuqiang;Liu,Na;Sheng,Chunquan[ChemicalCommunications,2018,vol.54,#96,p.13535-13538]

[17]Abd-Elaziz,ArwaM.;Aly,HalaM.;Saleh,NashwaM.;Fouad,SawsanA.;Ismail,AblaA.;Fouda,Amr[JournaloftheIranianChemicalSociety,2022,vol.19,#6,p.2279-2296]

463-71-8    104-94-9    1227-45-8 

[1]Locationinpatent:experimentalpartTripathi,ChandraBhushan;Mukherjee,Santanu[JournalofOrganicChemistry,2012,vol.77,#3,p.1592-1598]

[2]Dyson;George[JournaloftheChemicalSociety,1924,vol.125,p.1704]

[3]CurrentPatentAssignee:BIOMARINPHARMACEUTICALINC-WO2017/214505,2017,A1Locationinpatent:Paragraph0001043;0001044

104-94-9    2284-20-0    1227-45-8 

[1]Strukil,Vjekoslav;Igrc,MarinaD.;Fabian,Laszlo;Eckert-Maksic,Mirjana;Childs,ScottL.;Reid,DavidG.;Duer,MelindaJ.;Halasz,Ivan;Mottillo,Cristina;Friscic,Tomislav[GreenChemistry,2012,vol.14,#9,p.2462-2473]

[2]Kelley,MatthewR.;Rohde,Jan-Uwe[InorganicChemistry,2013,vol.52,#5,p.2564-2580]

[3]Dyson;George;Hunter[JournaloftheChemicalSociety,1927,p.440]

[4]Campbell;Campbell;Patelski[ProceedingsoftheIndianaAcademyofScience,1943,vol.53,p.119]

[5]Natarajan,Amarnath;Guo,Yuhong;Arthanari,Haribabu;Wagner,Gerhard;Halperin,JoseA.;Chorev,Michael[JournalofOrganicChemistry,2005,vol.70,#16,p.6362-6368]

[6]Muccioli,GiulioG.;Wouters,Johan;Charlier,Caroline;Scriba,GerhardK.E.;Pizza,Teresa;DiPace,Pierluigi;DeMartino,Paolo;Poppitz,Wolfgang;Poupaert,JacquesH.;Lambert,DidierM.[JournalofMedicinalChemistry,2006,vol.49,#3,p.872-882]

[7]Guin,Srimanta;Rout,SarojKumar;Gogoi,Anupal;Nandi,Shyamapada;Ghara,KrishnaKanta;Patel,BhismaK.[AdvancedSynthesisandCatalysis,2012,vol.354,#14-15,p.2757-2770]

[8]Wu,He;Sun,Yan-Fang;Zhang,Chen;Miao,Chun-Bao;Yang,Hai-Tao[TetrahedronLetters,2018,vol.59,#8,p.739-742]

[9]Chandrasekhar,Attoor;Ramkumar,Venkatachalam;Sankararaman,Sethuraman[Organicandbiomolecularchemistry,2018,vol.16,#44,p.8629-8638]

[10]Yuan,Wen-Kui;Liu,YanFang;Lan,Zhenggang;Wen,Li-Rong;Li,Ming[OrganicLetters,2018,vol.20,#22,p.7158-7162]

79-11-8    1227-45-8    32826-88-3 

[1]Mizzoni;Eisman[JournaloftheAmericanChemicalSociety,1958,vol.80,p.3471,3472]

79-11-8    1227-45-8    39139-62-3 

[1]Meng,Ge;Zheng,Meilin;Dong,Mengshu;Wang,Mei;Zheng,Aqun;Guo,Zengjun[JournalofHeterocyclicChemistry,2016,vol.53,#2,p.588-594]

[2]Bhargava[JournaloftheAmericanChemicalSociety,1951,vol.73,p.2353,2354][BulletinoftheChemicalSocietyofJapan,1951,vol.24,p.51,52]

[3]Locationinpatent:schemeortablePan,Bin;Huang,Ren-Zheng;Han,Shi-Qing;Qu,Di;Zhu,Ming-Li;Wei,Ping;Ying,Han-Jie[BioorganicandMedicinalChemistryLetters,2010,vol.20,#8,p.2461-2464]

[4]Locationinpatent:schemeortablePan,Bin;Huang,Renzheng;Zheng,Likang;Chen,Chen;Han,Shiqing;Qu,Di;Zhu,Mingli;Wei,Ping[EuropeanJournalofMedicinalChemistry,2011,vol.46,#3,p.819-824]

[5]Meng,Ge;Zheng,Meilin;Wang,Mei;Tong,Jing;Ge,Weijuan;Zhang,Jiehe;Zheng,Aqun;Li,Jingya;Gao,Lixin;Li,Jia[EuropeanJournalofMedicinalChemistry,2016,vol.122,p.756-769]

Literature fold

Title: 1,3-Bis(2-meth-oxy-phen-yl)thio-urea.

Journal: Acta crystallographica. Section E, Structure reports online20111101

Title: Antimycobacterial activities of isoxyl and new derivatives through the inhibition of mycolic acid synthesis.

Journal: Antimicrobial agents and chemotherapy19990501

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