Cas no 59849-54-6 (Disulfide, 1-methylpropyl propyl)

Disulfide, 1-methylpropyl propyl structure
59849-54-6 structure
Product Name:Disulfide, 1-methylpropyl propyl
CAS No:59849-54-6
MF:C7H16S2
MW:164.331939697266
CID:337124
PubChem ID:521902
Update Time:2025-04-19

Disulfide, 1-methylpropyl propyl Chemical and Physical Properties

Names and Identifiers

    • Disulfide, 1-methylpropyl propyl
    • 2-(propyldisulfanyl)butane
    • 1-Propyl sec-butyl disulfide
    • 3-Methyl-4,5-dithiaoctane
    • sec-Butyl propyl disulfide
    • SCHEMBL20858115
    • n-Propyl sec-butyl disulfide
    • KHTNPVYWCGRQEA-UHFFFAOYSA-N
    • n-propyl s-butyl disulfide
    • 59849-54-6
    • DTXSID60334772
    • Inchi: 1S/C7H16S2/c1-4-6-8-9-7(3)5-2/h7H,4-6H2,1-3H3
    • InChI Key: KHTNPVYWCGRQEA-UHFFFAOYSA-N
    • SMILES: S(C(C)CC)SCCC

Computed Properties

  • Exact Mass: 164.06948
  • Monoisotopic Mass: 164.06934286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 54.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 50.6?2

Experimental Properties

  • PSA: 0
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