Cas no 62224-02-6 (1,7-Heptanedithiol)

1,7-Heptanedithiol structure
1,7-Heptanedithiol structure
Product Name:1,7-Heptanedithiol
CAS No:62224-02-6
MF:C7H16S2
MW:164.331939697266
CID:453712
PubChem ID:9920469
Update Time:2025-04-19

1,7-Heptanedithiol Chemical and Physical Properties

Names and Identifiers

    • 1,7-Heptanedithiol
    • heptane-1,7-dithiol
    • SCHEMBL62752
    • 62224-02-6
    • DTXSID60432787
    • Inchi： 1S/C7H16S2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2
    • InChI Key： RVVRZLSZZKMJCB-UHFFFAOYSA-N
    • SMILES： SCCCCCCCS

Computed Properties

  • Exact Mass: 164.06948
  • Monoisotopic Mass: 164.06934286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 6
  • Complexity: 40.2
  • 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: 2.8
  • Topological Polar Surface Area: 2?2

Experimental Properties

  • Density: 0.954
  • Boiling Point: 238.19°C at 760 mmHg
  • Flash Point: 93.126°C
  • Refractive Index: 1.496
  • PSA: 0

1,7-Heptanedithiol Related Literature

62224-02-6 (1,7-Heptanedithiol) Related Products

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