Cas no 29518-83-0 (tert-butyl methylsulfanylformate)

tert-butyl methylsulfanylformate structure
29518-83-0 structure
Product Name:tert-butyl methylsulfanylformate
CAS No:29518-83-0
MF:C6H12O2S
MW:148.223280906677
CID:288327
PubChem ID:260131
Update Time:2025-04-19

tert-butyl methylsulfanylformate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl methylsulfanylformate
    • DTXSID90293621
    • NSC91016
    • NSC-91016
    • SCHEMBL4376025
    • 29518-83-0
    • Inchi: 1S/C6H12O2S/c1-6(2,3)8-5(7)9-4/h1-4H3
    • InChI Key: PLJMFAMJFJGOHB-UHFFFAOYSA-N
    • SMILES: S(C)C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 148.05586
  • Monoisotopic Mass: 148.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 104
  • 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
  • Topological Polar Surface Area: 51.6?2

Experimental Properties

  • Density: 1.021
  • Boiling Point: 173.9°Cat760mmHg
  • Flash Point: 62.9°C
  • Refractive Index: 1.457
  • PSA: 26.3
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