Cas no 89880-18-2 (Ethanethioic acid, 2,2'-thiobis-, S,S-diethyl ester)

Ethanethioic acid, 2,2'-thiobis-, S,S-diethyl ester structure
89880-18-2 structure
Product Name:Ethanethioic acid, 2,2'-thiobis-, S,S-diethyl ester
CAS No:89880-18-2
MF:C8H14O2S3
MW:238.390558719635
CID:586005
PubChem ID:13129148
Update Time:2025-04-19

Ethanethioic acid, 2,2'-thiobis-, S,S-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Ethanethioic acid, 2,2'-thiobis-, S,S-diethyl ester
    • S-ethyl 2-(2-ethylsulfanyl-2-oxoethyl)sulfanylethanethioate
    • DTXSID50520506
    • 89880-18-2
    • S,S'-Diethyl 2,2'-sulfanediyldiethanethioate
    • Inchi: 1S/C8H14O2S3/c1-3-12-7(9)5-11-6-8(10)13-4-2/h3-6H2,1-2H3
    • InChI Key: JOPUCYBVZNHMFV-UHFFFAOYSA-N
    • SMILES: S(CC(=O)SCC)CC(=O)SCC

Computed Properties

  • Exact Mass: 238.01559321g/mol
  • Monoisotopic Mass: 238.01559321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 8
  • Complexity: 153
  • 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: 2.5
  • Topological Polar Surface Area: 110?2
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