Cas no 58460-38-1 (6-Benzothiazolamine, 5-chloro-2-(1-methylethyl)-)
58460-38-1 structure
Product Name:6-Benzothiazolamine, 5-chloro-2-(1-methylethyl)-
CAS No:58460-38-1
MF:C10H11ClN2S
MW:226.725739717484
CID:341985
PubChem ID:71443554
Update Time:2025-04-19
6-Benzothiazolamine, 5-chloro-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazolamine, 5-chloro-2-(1-methylethyl)-
- 5-chloro-2-propan-2-yl-1,3-benzothiazol-6-amine
- 58460-38-1
- DTXSID30852377
- 5-Chloro-2-(propan-2-yl)-1,3-benzothiazol-6-amine
-
- Inchi： 1S/C10H11ClN2S/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,12H2,1-2H3
- InChI Key： WFWDRWRLQNILTH-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2=C(C=1)N=C(C(C)C)S2)N
Computed Properties
- Exact Mass: 226.03333
- Monoisotopic Mass: 226.0331472g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 212
- 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
- XLogP3: 3.5
- Topological Polar Surface Area: 67.2?2
Experimental Properties
- PSA: 38.91
6-Benzothiazolamine, 5-chloro-2-(1-methylethyl)- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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