Cas no 4225-16-5 (2-Benzothiazolamine,5-chloro-N,N-dimethyl-)
4225-16-5 structure
Product Name:2-Benzothiazolamine,5-chloro-N,N-dimethyl-
CAS No:4225-16-5
MF:C9H9ClN2S
MW:212.699159383774
CID:325085
Update Time:2024-01-28
2-Benzothiazolamine,5-chloro-N,N-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolamine,5-chloro-N,N-dimethyl-
- Benzothiazole,5-chloro-2-(dimethylamino)- (7CI,8CI)
- 5-Chloro-N,N-dimethyl-1,3-benzothiazol-2-amine
- Benzothiazole, 5-chloro-2-(dimethylamino)- (7CI,8CI)
-
- Inchi： 1S/C9H9ClN2S/c1-12(2)9-11-7-5-6(10)3-4-8(7)13-9/h3-5H,1-2H3
- InChI Key： XYQMLNSDRBTJOS-UHFFFAOYSA-N
- SMILES： S1C2=CC=C(Cl)C=C2N=C1N(C)C
Computed Properties
- Exact Mass: 212.01767
- Monoisotopic Mass: 212.017
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 189
- 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: 44.4A^2
Experimental Properties
- PSA: 16.13
2-Benzothiazolamine,5-chloro-N,N-dimethyl- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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