Cas no 90223-50-0 (4,5-Benzothiazolediamine,2-methyl-)
90223-50-0 structure
Product Name:4,5-Benzothiazolediamine,2-methyl-
CAS No:90223-50-0
MF:C8H9N3S
MW:179.242159605026
CID:798157
Update Time:2024-02-02
4,5-Benzothiazolediamine,2-methyl- Chemical and Physical Properties
Names and Identifiers
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- 4,5-Benzothiazolediamine,2-methyl-
- Benzothiazole, 4,5-diamino-2-methyl- (6CI,7CI)
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- Inchi： 1S/C8H9N3S/c1-4-11-8-6(12-4)3-2-5(9)7(8)10/h2-3H,9-10H2,1H3
- InChI Key： WTJUOJNWXXWUTG-UHFFFAOYSA-N
- SMILES： S1C2=CC=C(N)C(N)=C2N=C1C
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
4,5-Benzothiazolediamine,2-methyl- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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