Cas no 220182-89-8 (1-Cyano-1-cyclohexyl dithiobenzoate)
220182-89-8 structure
Product Name:1-Cyano-1-cyclohexyl dithiobenzoate
CAS No:220182-89-8
MF:C14H15NS2
MW:261.405600786209
CID:2836226
PubChem ID:59257516
Update Time:2025-04-21
1-Cyano-1-cyclohexyl dithiobenzoate Chemical and Physical Properties
Names and Identifiers
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- 1-cyano-1-cyclohexyl dithiobenzoate
- DTXSID90731376
- 1-Cyanocyclohexyl benzenecarbodithioate
- FYUMHHFLRJERAM-UHFFFAOYSA-N
- SCHEMBL4661082
- 220182-89-8
- 1-Cyano-1-cyclohexyl dithiobenzoate
-
- Inchi： 1S/C14H15NS2/c15-11-14(9-5-2-6-10-14)17-13(16)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2
- InChI Key： FYUMHHFLRJERAM-UHFFFAOYSA-N
- SMILES： S(C(C1C=CC=CC=1)=S)C1(C#N)CCCCC1
Computed Properties
- Exact Mass: 261.06459183Da
- Monoisotopic Mass: 261.06459183Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 316
- 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: 4.3
- Topological Polar Surface Area: 81.2?2
1-Cyano-1-cyclohexyl dithiobenzoate Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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