Cas no 34263-66-6 (Thiocyanic acid, 2-cyanophenyl ester)
34263-66-6 structure
Product Name:Thiocyanic acid, 2-cyanophenyl ester
CAS No:34263-66-6
MF:C8H4N2S
MW:160.195759773254
CID:1461691
PubChem ID:12409407
Update Time:2025-04-20
Thiocyanic acid, 2-cyanophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid, 2-cyanophenyl ester
- o-cyanophenyl thiocyanate
- 2-Cyanophenyl thiocyanate
- SCHEMBL11241316
- DTXSID601312323
- 34263-66-6
-
- Inchi： 1S/C8H4N2S/c9-5-7-3-1-2-4-8(7)11-6-10/h1-4H
- InChI Key： AAMZBIHDHIGOEQ-UHFFFAOYSA-N
- SMILES： S(C#N)C1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 160.00962
- Monoisotopic Mass: 160.00951931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 2.2
- Topological Polar Surface Area: 72.9?2
Experimental Properties
- PSA: 47.58
Thiocyanic acid, 2-cyanophenyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
34263-66-6 (Thiocyanic acid, 2-cyanophenyl ester) Related Products
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