Cas no 114698-09-8 (Benzothiazole,2-(cyanodithio)-)
114698-09-8 structure
Product Name:Benzothiazole,2-(cyanodithio)-
CAS No:114698-09-8
MF:C8H4N2S3
MW:224.325757026672
CID:130424
PubChem ID:22121718
Update Time:2025-04-19
Benzothiazole,2-(cyanodithio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-(cyanodithio)-
- 2-Benzothiazolesulfenicacid,anhydridewithHSCN(6CI)
- 114698-09-8
- SCHEMBL8176143
- 1,3-benzothiazol-2-ylsulfanyl thiocyanate
-
- Inchi： 1S/C8H4N2S3/c9-5-11-13-8-10-6-3-1-2-4-7(6)12-8/h1-4H
- InChI Key： XUYMIKFOWONGAA-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=CC=CC1=2)SSC#N
Computed Properties
- Exact Mass: 223.95382
- Monoisotopic Mass: 223.95366166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 225
- 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: 116?2
Experimental Properties
- PSA: 36.68
Benzothiazole,2-(cyanodithio)- Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
114698-09-8 (Benzothiazole,2-(cyanodithio)-) Related Products
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