934-34-9,MFCD00022868
Catalog No.:AA003HCJ

934-34-9 | 2-Benzothiazolol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$12.00   $8.00
- +
10g
98%
in stock  
$15.00   $11.00
- +
25g
98%
in stock  
$18.00   $13.00
- +
100g
98%
in stock  
$71.00   $50.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003HCJ
Chemical Name:
2-Benzothiazolol
CAS Number:
934-34-9
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD00022868
SMILES:
O=c1sc2c([nH]1)cccc2
Properties
Properties
 
BP:
360°C (rough estimate)  
Form:
Solid  
MP:
137-140 °C(lit.)  
Refractive Index:
1.5500 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
160  
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:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Upstream Synthesis Route

[1]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.22,p.294

[2]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.22,p.294

[3]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.22,p.294

[4]Patent:US2073600,1934,,

[5]Patent:US2073600,1934,,

[6]Patent:US2073600,1934,,

[1]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.17,p.611

[2]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.17,p.611

[1]TetrahedronLetters,2001,vol.42,#29,p.4849-4851

[1]JournalofHeterocyclicChemistry,1988,vol.25,p.1503-1509

[2]EuropeanJournalofMedicinalChemistry,2017,vol.137,p.310-326

[3]MonatsheftefurChemie,2011,vol.142,#1,p.67-80

[4]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.807-817

[5]BollettinoScientificodellaFacoltadiChimicaIndustrialediBologna,1944,vol.5,p.11,14,16,18

[6]JournaloftheChemicalSociety,1930,p.125,145

[7]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.575-582

[1]Patent:US6350756,2002,B1,.Locationinpatent:Pagecolumn47-48

Downstream Synthesis Route

[1]BollettinoScientificodellaFacoltadiChimicaIndustrialediBologna,1944,vol.5,p.11,14,16,18

[2]JournaloftheChemicalSociety,1935,p.1755,1760

[1]Mésangeau,Christophe;Narayanan,Sanju;Green,AndreaM.;Shaikh,Jamaluddin;Kaushal,Nidhi;Viard,Eddy;Xu,Yan-Tong;Fishback,JamesA.;Poupaert,JacquesH.;Matsumoto,RaeR.;McCurdy,ChristopherR.[JournalofMedicinalChemistry,2008,vol.51,#5,p.1482-1486]

[2]Bhat,Rohit;Fishback,JamesA.;Matsumoto,RaeR.;Poupaert,JacquesH.;McCurdy,ChristopherR.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#17,p.5011-5013]

[3]Abdelazeem,AhmedH.;Khan,ShabanaI.;White,StephenW.;Sufka,KennethJ.;McCurdy,ChristopherR.[BioorganicandMedicinalChemistry,2015,vol.23,#13,p.3248-3259]

[4]Fujii[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1957,vol.77,p.359][Chem.Abstr.,1957,p.12103]

[5]Intagliata,Sebastiano;Agha,Hebaalla;Kopajtic,TheresaA.;Katz,JonathanL.;Kamble,ShyamH.;Sharma,Abhisheak;Avery,BonnieA.;McCurdy,ChristopherR.[MedicinalChemistryResearch,2020,vol.29,#9,p.1697-1706]

[1]JournalofHeterocyclicChemistry,1988,vol.25,p.1503-1509

[2]EuropeanJournalofMedicinalChemistry,2017,vol.137,p.310-326

[3]MonatsheftefurChemie,2011,vol.142,p.67-80

[4]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.807-817

[5]BollettinoScientificodellaFacoltadiChimicaIndustrialediBologna,1944,vol.5,p.11,14,16,18

[6]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.575-582

[1]Ucar,Huseyin;derpoorten,KimVan;Kanyonyo,Martial;Isa,Majed;Lambert,Didier;etal.[BulletindesSocietesChimiquesBelges,1996,vol.105,#12,p.773-776]

[2]Ucar,Huseyin;VanDerpoorten,Kim;Cacciaguerra,Silvia;Spampinato,Santi;Stables,JamesP.;Depovere,Paul;Isa,Majed;Masereel,Bernard;Delarge,Jacques;Poupaert,JacquesH.[JournalofMedicinalChemistry,1998,vol.41,#7,p.1138-1145]

[3]Guenadil,Faouzi;Aichaoui,Hocine[Phosphorus,SulfurandSiliconandtheRelatedElements,2003,vol.178,#8,p.1703-1708]

[4]Carato,Pascal;Yous,Saïd;Sellier,Didier;Poupaert,JacquesH.;Lebegue,Nicolas;Berthelot,Pascal[Tetrahedron,2004,vol.60,#45,p.10321-10324]

[5]Zinner,H.;Nimmich,W.[JournalfurpraktischeChemie(Leipzig1954),1961,vol.14,p.139-149]

[6]Locationinpatent:experimentalpartGuenadil,Faouzi;Aichaoui,Hocine;Kapanda,CocoN.;Lambert,DidierM.;McCurdy,ChristopherR.;Poupaert,JacquesH.[MonatsheftefurChemie,2011,vol.142,#1,p.67-80]

[1]Liu,Qiang;Wu,Pan;Yang,Yuhong;Zeng,Ziqi;Liu,Jie;Yi,Hong;Lei,Aiwen[AngewandteChemie-InternationalEdition,2012,vol.51,#19,p.4666-4670]

[2]Tezuka,Noriyuki;Shimojo,Kohei;Hirano,Keiichi;Komagawa,Shinsuke;Yoshida,Kengo;Wang,Chao;Miyamoto,Kazunori;Saito,Tatsuo;Takita,Ryo;Uchiyama,Masanobu[JournaloftheAmericanChemicalSociety,2016,vol.138,#29,p.9166-9171]

[3]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-CN113045589,2021,ALocationinpatent:Paragraph0237;0242-0244

[4]Cole,EdwardR.;Crank,George;Sumantri[AustralianJournalofChemistry,1986,vol.39,#2,p.295-301]

Literature
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Additional Info:
SDS
Tags:934-34-9 Molecular Formula|934-34-9 MDL|934-34-9 SMILES|934-34-9 2-Benzothiazolol
Catalog No.: AA003HCJ
934-34-9,MFCD00022868
934-34-9 | 2-Benzothiazolol
Pack Size: 5g
Purity: 98%
in stock
$12.00 $8.00
Pack Size: 10g
Purity: 98%
in stock
$15.00 $11.00
Pack Size: 25g
Purity: 98%
in stock
$18.00 $13.00
Pack Size: 100g
Purity: 98%
in stock
$71.00 $50.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003HCJ
Chemical Name: 2-Benzothiazolol
CAS Number: 934-34-9
Molecular Formula: C7H5NOS
Molecular Weight: 151.1857
MDL Number: MFCD00022868
SMILES: O=c1sc2c([nH]1)cccc2
Properties
BP: 360°C (rough estimate)  
Form: Solid  
MP: 137-140 °C(lit.)  
Refractive Index: 1.5500 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 160  
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: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Upstream Synthesis Route
934-34-9    615-21-4 

[1]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.22,p.294

[2]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.22,p.294

[3]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.22,p.294

[4]Patent:US2073600,1934,,

[5]Patent:US2073600,1934,,

[6]Patent:US2073600,1934,,

934-34-9    615-20-3 

[1]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.17,p.611

[2]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.17,p.611

934-34-9    2516-40-7 

[1]TetrahedronLetters,2001,vol.42,#29,p.4849-4851

934-34-9    62266-82-4 

[1]JournalofHeterocyclicChemistry,1988,vol.25,p.1503-1509

[2]EuropeanJournalofMedicinalChemistry,2017,vol.137,p.310-326

[3]MonatsheftefurChemie,2011,vol.142,#1,p.67-80

[4]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.807-817

[5]BollettinoScientificodellaFacoltadiChimicaIndustrialediBologna,1944,vol.5,p.11,14,16,18

[6]JournaloftheChemicalSociety,1930,p.125,145

[7]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.575-582

934-34-9    2875-32-3 

[1]Patent:US6350756,2002,B1,.Locationinpatent:Pagecolumn47-48

Downstream Synthesis Route
934-34-9    625-58-1    28620-12-4 

[1]BollettinoScientificodellaFacoltadiChimicaIndustrialediBologna,1944,vol.5,p.11,14,16,18

[2]JournaloftheChemicalSociety,1935,p.1755,1760

934-34-9    106-93-4    98590-35-3 

[1]Mésangeau,Christophe;Narayanan,Sanju;Green,AndreaM.;Shaikh,Jamaluddin;Kaushal,Nidhi;Viard,Eddy;Xu,Yan-Tong;Fishback,JamesA.;Poupaert,JacquesH.;Matsumoto,RaeR.;McCurdy,ChristopherR.[JournalofMedicinalChemistry,2008,vol.51,#5,p.1482-1486]

[2]Bhat,Rohit;Fishback,JamesA.;Matsumoto,RaeR.;Poupaert,JacquesH.;McCurdy,ChristopherR.[BioorganicandMedicinalChemistryLetters,2013,vol.23,#17,p.5011-5013]

[3]Abdelazeem,AhmedH.;Khan,ShabanaI.;White,StephenW.;Sufka,KennethJ.;McCurdy,ChristopherR.[BioorganicandMedicinalChemistry,2015,vol.23,#13,p.3248-3259]

[4]Fujii[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1957,vol.77,p.359][Chem.Abstr.,1957,p.12103]

[5]Intagliata,Sebastiano;Agha,Hebaalla;Kopajtic,TheresaA.;Katz,JonathanL.;Kamble,ShyamH.;Sharma,Abhisheak;Avery,BonnieA.;McCurdy,ChristopherR.[MedicinalChemistryResearch,2020,vol.29,#9,p.1697-1706]

934-34-9    62266-82-4 

[1]JournalofHeterocyclicChemistry,1988,vol.25,p.1503-1509

[2]EuropeanJournalofMedicinalChemistry,2017,vol.137,p.310-326

[3]MonatsheftefurChemie,2011,vol.142,p.67-80

[4]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.807-817

[5]BollettinoScientificodellaFacoltadiChimicaIndustrialediBologna,1944,vol.5,p.11,14,16,18

[6]EuropeanJournalofMedicinalChemistry,2015,vol.92,p.575-582

934-34-9    98-88-4    31428-76-9 

[1]Ucar,Huseyin;derpoorten,KimVan;Kanyonyo,Martial;Isa,Majed;Lambert,Didier;etal.[BulletindesSocietesChimiquesBelges,1996,vol.105,#12,p.773-776]

[2]Ucar,Huseyin;VanDerpoorten,Kim;Cacciaguerra,Silvia;Spampinato,Santi;Stables,JamesP.;Depovere,Paul;Isa,Majed;Masereel,Bernard;Delarge,Jacques;Poupaert,JacquesH.[JournalofMedicinalChemistry,1998,vol.41,#7,p.1138-1145]

[3]Guenadil,Faouzi;Aichaoui,Hocine[Phosphorus,SulfurandSiliconandtheRelatedElements,2003,vol.178,#8,p.1703-1708]

[4]Carato,Pascal;Yous,Saïd;Sellier,Didier;Poupaert,JacquesH.;Lebegue,Nicolas;Berthelot,Pascal[Tetrahedron,2004,vol.60,#45,p.10321-10324]

[5]Zinner,H.;Nimmich,W.[JournalfurpraktischeChemie(Leipzig1954),1961,vol.14,p.139-149]

[6]Locationinpatent:experimentalpartGuenadil,Faouzi;Aichaoui,Hocine;Kapanda,CocoN.;Lambert,DidierM.;McCurdy,ChristopherR.;Poupaert,JacquesH.[MonatsheftefurChemie,2011,vol.142,#1,p.67-80]

95-16-9    934-34-9 

[1]Liu,Qiang;Wu,Pan;Yang,Yuhong;Zeng,Ziqi;Liu,Jie;Yi,Hong;Lei,Aiwen[AngewandteChemie-InternationalEdition,2012,vol.51,#19,p.4666-4670]

[2]Tezuka,Noriyuki;Shimojo,Kohei;Hirano,Keiichi;Komagawa,Shinsuke;Yoshida,Kengo;Wang,Chao;Miyamoto,Kazunori;Saito,Tatsuo;Takita,Ryo;Uchiyama,Masanobu[JournaloftheAmericanChemicalSociety,2016,vol.138,#29,p.9166-9171]

[3]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-CN113045589,2021,ALocationinpatent:Paragraph0237;0242-0244

[4]Cole,EdwardR.;Crank,George;Sumantri[AustralianJournalofChemistry,1986,vol.39,#2,p.295-301]

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