Cas no 27240-57-9 (Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester)

Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester structure
27240-57-9 structure
Product Name:Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester
CAS No:27240-57-9
MF:C9H16O3S2
MW:236.351540565491
CID:1429613
PubChem ID:10857462
Update Time:2025-04-20

Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester
    • tert-butyl 2-ethoxycarbothioylsulfanylacetate
    • 27240-57-9
    • AT26049
    • PUWFWBUIBGCOIP-UHFFFAOYSA-N
    • O-ethyl S-(tert-butoxycarbonyl)methyl dithiocarbonate
    • tert-Butyl [(ethoxycarbonothioyl)sulfanyl]acetate
    • t-butyl 2-(ethoxycarbonothioylthio)acetate
    • TERT-BUTYL 2-((ETHOXYCARBONOTHIOYL)THIO)ACETATE
    • DTXSID40446125
    • SCHEMBL2445178
    • Inchi: 1S/C9H16O3S2/c1-5-11-8(13)14-6-7(10)12-9(2,3)4/h5-6H2,1-4H3
    • InChI Key: PUWFWBUIBGCOIP-UHFFFAOYSA-N
    • SMILES: S(C(OCC)=S)CC(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 236.05418
  • Monoisotopic Mass: 236.05408672g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 209
  • 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: 2.9
  • Topological Polar Surface Area: 92.9?2

Experimental Properties

  • PSA: 35.53
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