Cas no 108697-88-7 (3-phenylsulfanylbenzonitrile)
3-phenylsulfanylbenzonitrile structure
Product Name:3-phenylsulfanylbenzonitrile
CAS No:108697-88-7
MF:C13H9NS
MW:211.282261610031
CID:1186875
PubChem ID:11298792
Update Time:2025-04-20
3-phenylsulfanylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-phenylsulfanylbenzonitrile
- AGN-PC-006A57
- ACMC-20mbpr
- 3-cyanophenyl phenyl sulfide
- 3-(phenylthio)benzonitrile
- CTK0G2656
- SureCN4807913
- 4-cyanophenyl phenyl sulfide
- Benzonitrile, 3-(phenylthio)-
- AGN-PC-006A57; ACMC-20mbpr; 3-cyanophenyl phenyl sulfide; 3-(phenylthio)benzonitrile; CTK0G2656; SureCN4807913; 4-cyanophenyl phenyl sulfide; Benzonitrile, 3-(phenylthio)-;
- 108697-88-7
- DTXSID40461611
- 3-(PHENYLSULFANYL)BENZONITRILE
- HS-4625
- VWFUJPSACNEMJX-UHFFFAOYSA-N
- SCHEMBL4807913
-
- Inchi： 1S/C13H9NS/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H
- InChI Key： VWFUJPSACNEMJX-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 211.04567
- Monoisotopic Mass: 211.04557046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 236
- 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: 3.7
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 23.79
3-phenylsulfanylbenzonitrile Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
108697-88-7 (3-phenylsulfanylbenzonitrile) Related Products
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