Cas no 90792-50-0 (5,7-Benzothiazolediamine,2-methyl-)
90792-50-0 structure
Product Name:5,7-Benzothiazolediamine,2-methyl-
CAS No:90792-50-0
MF:C8H9N3S
MW:179.242159605026
CID:798799
PubChem ID:45077348
Update Time:2025-04-19
5,7-Benzothiazolediamine,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5,7-Benzothiazolediamine,2-methyl-
- Benzothiazole, 5,7-diamino-2-methyl- (7CI)
- 90792-50-0
- Benzothiazole,5,7-diamino-2-methyl-(7ci)
-
- Inchi: 1S/C8H9N3S/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,9-10H2,1H3
- InChI Key: QCKXNPCFZAVSFH-UHFFFAOYSA-N
- SMILES: S1C(C)=NC2C=C(C=C(C1=2)N)N
Computed Properties
- Exact Mass: 179.052
- Monoisotopic Mass: 179.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 176
- 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: 93.2A^2
- XLogP3: 1.4
5,7-Benzothiazolediamine,2-methyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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