Cas no 22683-43-8 (Acetic acid, [(1-methylpropyl)thio]-)

Acetic acid, [(1-methylpropyl)thio]- structure
22683-43-8 structure
Product Name:Acetic acid, [(1-methylpropyl)thio]-
CAS No:22683-43-8
MF:C6H12O2S
MW:148.223280906677
CID:2659844
Update Time:2023-08-06

Acetic acid, [(1-methylpropyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • sec-butylsulfanyl-acetic acid
    • Acetic acid, [(1-methylpropyl)thio]-
    • (butan-2-ylsulfanyl)acetic acid
    • (Sec-butylsulfanyl)acetic acid #
    • QHFJJZPTJJVNMG-UHFFFAOYSA-N
    • [(1-Methylpropyl)thio]acetic acid
    • Inchi: 1S/C6H12O2S/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
    • InChI Key: QHFJJZPTJJVNMG-UHFFFAOYSA-N
    • SMILES: S(CC(=O)O)C(C)CC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 93.1
  • Topological Polar Surface Area: 62.6
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