Cas no 55843-14-6 (Acetic acid, [[(methylthio)methyl]thio]-)

Acetic acid, [[(methylthio)methyl]thio]- structure
55843-14-6 structure
Product Name:Acetic acid, [[(methylthio)methyl]thio]-
CAS No:55843-14-6
MF:C4H8O2S2
MW:152.235118865967
CID:350603
PubChem ID:54475725
Update Time:2025-04-19

Acetic acid, [[(methylthio)methyl]thio]- Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, [[(methylthio)methyl]thio]-
    • 2-(methylsulfanylmethylsulfanyl)acetic acid
    • 55843-14-6
    • SCHEMBL11546833
    • 2-(((Methylthio)methyl)thio)acetic acid
    • {[(Methylsulfanyl)methyl]sulfanyl}acetic acid
    • DTXSID10711599
    • Inchi: 1S/C4H8O2S2/c1-7-3-8-2-4(5)6/h2-3H2,1H3,(H,5,6)
    • InChI Key: XLLAXIWFCUEJHE-UHFFFAOYSA-N
    • SMILES: S(CSC)CC(=O)O

Computed Properties

  • Exact Mass: 151.99664
  • Monoisotopic Mass: 151.99657184g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 74.4
  • 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: 1.2
  • Topological Polar Surface Area: 87.9?2

Experimental Properties

  • PSA: 37.3
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