Cas no 370-04-7 (S-phenyl fluoroethanethioate)

S-phenyl fluoroethanethioate structure
S-phenyl fluoroethanethioate structure
Product Name:S-phenyl fluoroethanethioate
CAS No:370-04-7
MF:C8H7FOS
MW:170.203984498978
CID:1480254
PubChem ID:9721
Update Time:2025-04-21

S-phenyl fluoroethanethioate Chemical and Physical Properties

Names and Identifiers

    • S-phenyl fluoroethanethioate
    • S-phenyl 2-fluoroethanethioate
    • 370-04-7
    • ACETIC ACID, FLUOROTHIO-, S-PHENYL ESTER
    • Phenyl fluorothiolacetate
    • DTXSID30190488
    • 4-06-00-01523 (Beilstein Handbook Reference)
    • BRN 3240822
    • 17,846 RP
    • Inchi: 1S/C8H7FOS/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
    • InChI Key: ZMFYCHLZRAOBCQ-UHFFFAOYSA-N
    • SMILES: S(C(CF)=O)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 170.02021
  • Monoisotopic Mass: 170.02016418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 132
  • 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: 2.6
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • PSA: 17.07
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