Cas no 18245-72-2 (Propanethioic acid,S-phenyl ester)
18245-72-2 structure
Product Name:Propanethioic acid,S-phenyl ester
CAS No:18245-72-2
MF:C9H10OS
MW:166.240101337433
CID:122860
PubChem ID:4327889
Update Time:2025-04-18
Propanethioic acid,S-phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanethioic acid,S-phenyl ester
- S-phenyl propanethioate
- S-PHENYL THIOPROPIONATE, 98
- 18245-72-2
- AKOS006228459
- SCHEMBL2348882
- DTXSID40401976
- propanethioic acid S-phenyl ester
-
- Inchi： 1S/C9H10OS/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3
- InChI Key： XOCHGSFCFAFUCO-UHFFFAOYSA-N
- SMILES： S(C(CC)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 292.08828
- Monoisotopic Mass: 166.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 128
- 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: 2.7
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- Density: 1.083?g/mL?at 25?°C(lit.)
- Boiling Point: 130-131?°C/20?mmHg(lit.)
- Flash Point: 109?°C
- Refractive Index: n20/D 1.56(lit.)
- PSA: 65.22
Propanethioic acid,S-phenyl ester Security Information
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： 26-37/39
-
Hazardous Material Identification：
Propanethioic acid,S-phenyl ester Related Literature
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1. Flash vacuum pyrolysis of stabilised phosphorus ylides. Part 15.1 Generation of alkoxycarbonyl(sulfenyl)carbenes and their intramolecular insertion to give alkenyl sulfidesR. Alan Aitken,Jill M. Armstrong,Martin J. Drysdale,Fiona C. Ross,Bruce M. Ryan J. Chem. Soc. Perkin Trans. 1 1999 593
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2. An approach to modified heterocyclic analogues of huperzine A and isohuperzine A. Synthesis of the pyrimidone and pyrazole analogues, and their anticholinesterase activityAlan P. Kozikowski,Giuseppe Campiani,Vito Nacci,Alessandro Sega,Ashima Saxena,Bhupendra P. Doctor J. Chem. Soc. Perkin Trans. 1 1996 1287
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Hyuck Keun Oh,Sun Kyung Kim,Hai Whang Lee,Ikchoon Lee New J. Chem. 2001 25 313
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4. Synthesis of cyclic amines and allylic sulfides by phenylthio migration of β-hydroxy sulfidesIain Coldham,Stuart Warren J. Chem. Soc. Perkin Trans. 1 1993 1637
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