Cas no 462-31-7 (S-(2-fluoroethyl) ethanethioate)

S-(2-fluoroethyl) ethanethioate structure
462-31-7 structure
Product Name:S-(2-fluoroethyl) ethanethioate
CAS No:462-31-7
MF:C4H7FOS
MW:122.161183595657
CID:1521058
PubChem ID:10018
Update Time:2025-04-21

S-(2-fluoroethyl) ethanethioate Chemical and Physical Properties

Names and Identifiers

    • S-(2-fluoroethyl) ethanethioate
    • Thioacetic acid S-(2-fluoroethyl) ester
    • SCHEMBL16352674
    • BRN 1743106
    • ACETIC ACID, THIO-, S-(2-FLUOROETHYL) ESTER
    • thioacetic acid, 2-fluoroethyl ester
    • 2-Fluoroethyl thiolacetate
    • 462-31-7
    • DTXSID10196761
    • Ethanethioic S-acid, 2-fluoroethyl ester
    • 4-02-00-00544 (Beilstein Handbook Reference)
    • Inchi: 1S/C4H7FOS/c1-4(6)7-3-2-5/h2-3H2,1H3
    • InChI Key: MFWYIFRPVITMEP-UHFFFAOYSA-N
    • SMILES: S(C(C)=O)CCF

Computed Properties

  • Exact Mass: 122.02021
  • Monoisotopic Mass: 122.020164
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 64.7
  • 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
  • Topological Polar Surface Area: 42.4
  • XLogP3: 1

Experimental Properties

  • Density: 1.099
  • Boiling Point: 142.43°C (estimate)
  • Flash Point: 38.7°C
  • Refractive Index: 1.431
  • PSA: 17.07

S-(2-fluoroethyl) ethanethioate Related Literature

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