Cas no 94400-15-4 (2-Propenethioic acid, S-phenyl ester)
94400-15-4 structure
Product Name:2-Propenethioic acid, S-phenyl ester
CAS No:94400-15-4
MF:C9H8OS
MW:164.224221229553
CID:752304
PubChem ID:10940854
Update Time:2025-04-19
2-Propenethioic acid, S-phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenethioic acid, S-phenyl ester
- S-phenyl prop-2-enethioate
- SCHEMBL330818
- 94400-15-4
- DTXSID60449052
-
- Inchi： 1S/C9H8OS/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2
- InChI Key： XWGBJBSEZVCORP-UHFFFAOYSA-N
- SMILES： S(C(C=C)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 164.02958605g/mol
- Monoisotopic Mass: 164.02958605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 148
- 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: 2.8
- Topological Polar Surface Area: 42.4?2
2-Propenethioic acid, S-phenyl ester Related Literature
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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