Cas no 112365-71-6 (2-sulfanylbenzonitrile)
2-sulfanylbenzonitrile structure
Product Name:2-sulfanylbenzonitrile
CAS No:112365-71-6
MF:C7H5NS
MW:135.186300039291
CID:2608619
PubChem ID:11018926
Update Time:2025-04-21
2-sulfanylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-sulfanylbenzonitrile
- cyanothiophenol
- AOYOBWSGCQMROU-UHFFFAOYSA-N
- DTXCID60402829
- AT20892
- MFCD11155570
- 112365-71-6
- 2-mercapto-benzonitrile
- 34761-11-0
- 2-cyanobenzenethiol
- DTXSID50452010
- EN300-85312
- DB-347188
- 2-mercaptobenzonitrile
- SCHEMBL100731
- AKOS000261477
- BS-13059
- 815-924-7
- CS-0209230
-
- Inchi： 1S/C7H5NS/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
- InChI Key： AOYOBWSGCQMROU-UHFFFAOYSA-N
- SMILES： SC1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 135.01427034Da
- Monoisotopic Mass: 135.01427034Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 135
- 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: 1.6
- Topological Polar Surface Area: 24.8?2
2-sulfanylbenzonitrile Related Literature
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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