Cas no 66021-69-0 (2-Benzothiazolesulfenothioicacid(9CI))
66021-69-0 structure
Product Name:2-Benzothiazolesulfenothioicacid(9CI)
CAS No:66021-69-0
MF:C7H5NS3
MW:199.316297292709
CID:962987
PubChem ID:13128503
Update Time:2025-04-19
2-Benzothiazolesulfenothioicacid(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolesulfenothioicacid(9CI)
- 2-(disulfanyl)-1,3-benzothiazole
- SCHEMBL166522
- 66021-69-0
- DTXSID60520299
- 1,3-Benzothiazole-2-dithioperoxol
-
- Inchi： 1S/C7H5NS3/c9-11-7-8-5-3-1-2-4-6(5)10-7/h1-4,9H
- InChI Key： IZCHGOJNIHQWHP-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=CC=CC1=2)SS
Computed Properties
- Exact Mass: 198.95855
- Monoisotopic Mass: 198.95841268g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 142
- 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: 3.2
- Topological Polar Surface Area: 67.4?2
Experimental Properties
- PSA: 12.89
2-Benzothiazolesulfenothioicacid(9CI) Related Literature
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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