Cas no 926-73-8 (ethanethioic acid, s-(1-methylethyl) ester)

ethanethioic acid, s-(1-methylethyl) ester structure
926-73-8 structure
Product Name:ethanethioic acid, s-(1-methylethyl) ester
CAS No:926-73-8
MF:C5H10OS
MW:118.197300434113
CID:861068
PubChem ID:136712
Update Time:2025-04-19

ethanethioic acid, s-(1-methylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • ethanethioic acid, s-(1-methylethyl) ester
    • S-propan-2-yl ethanethioate
    • Thioacetic acid S-isopropyl ester
    • SCHEMBL5212996
    • S-Isopropyl ethanethioate #
    • 926-73-8
    • S-Isopropyl thioacetate
    • Acetic acid, thio-, S-isopropyl ester
    • XBSWGFUCFLITEY-UHFFFAOYSA-N
    • CH3C(O)SCH(CH3)2
    • Ethanethioic acid S-(isopropyl) ester
    • DTXSID70239067
    • Isopropyl thiolacetate
    • Inchi: 1S/C5H10OS/c1-4(2)7-5(3)6/h4H,1-3H3
    • InChI Key: XBSWGFUCFLITEY-UHFFFAOYSA-N
    • SMILES: S(C(C)=O)C(C)C

Computed Properties

  • Exact Mass: 118.045
  • Monoisotopic Mass: 118.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 68.5
  • 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: 1.5
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • Density: 0.964
  • Boiling Point: 134°C at 760 mmHg
  • Flash Point: 30.6°C
  • Refractive Index: 1.454
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