Cas no 30132-84-4 (benzothiazole, 7-amino-6-chloro- (8ci))
30132-84-4 structure
Product Name:benzothiazole, 7-amino-6-chloro- (8ci)
CAS No:30132-84-4
MF:C7H5ClN2S
MW:184.645998716354
CID:915927
PubChem ID:45077629
Update Time:2025-04-19
benzothiazole, 7-amino-6-chloro- (8ci) Chemical and Physical Properties
Names and Identifiers
-
- benzothiazole, 7-amino-6-chloro- (8ci)
- BENZOTHIAZOLE, 7-AMINO-6-CHLORO-
- 30132-84-4
- DB-274904
-
- Inchi： 1S/C7H5ClN2S/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H,9H2
- InChI Key： JHFHIYKNHJGYMQ-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1N)SC=N2
Computed Properties
- Exact Mass: 183.986
- Monoisotopic Mass: 183.986
- 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: 67.2A^2
- XLogP3: 2.3
benzothiazole, 7-amino-6-chloro- (8ci) Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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