Cas no 89583-91-5 (6-Benzothiazolethiol,5-chloro-)
89583-91-5 structure
Product Name:6-Benzothiazolethiol,5-chloro-
CAS No:89583-91-5
MF:C7H4ClNS2
MW:201.696357727051
CID:712029
PubChem ID:45077366
Update Time:2025-04-19
6-Benzothiazolethiol,5-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazolethiol,5-chloro-
- 6-Benzothiazolethiol,5-chloro-(7CI)
- 89583-91-5
- 5-Chloro-6-benzothiazolethiol
- DTXSID901307864
-
- Inchi： 1S/C7H4ClNS2/c8-4-1-5-7(2-6(4)10)11-3-9-5/h1-3,10H
- InChI Key： DYOCMYQPCJZBDO-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2=C(C=1)N=CS2)S
Computed Properties
- Exact Mass: 200.947
- Monoisotopic Mass: 200.947
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.1A^2
- XLogP3: 3.2
6-Benzothiazolethiol,5-chloro- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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