Cas no 7239-69-2 (1,2,5,6-tetrathiocane)

1,2,5,6-tetrathiocane structure
1,2,5,6-tetrathiocane structure
Product Name:1,2,5,6-tetrathiocane
CAS No:7239-69-2
MF:C4H8S4
MW:184.366315841675
CID:1759327
PubChem ID:603488
Update Time:2025-04-21

1,2,5,6-tetrathiocane Chemical and Physical Properties

Names and Identifiers

    • 1,2,5,6-tetrathiocane
    • DTXSID30345294
    • SCHEMBL25228430
    • 1,2,5,6-Tetrathiacyclooctane
    • 7239-69-2
    • AKINNVDGHCPCAP-UHFFFAOYSA-N
    • 1,2,5,6-Tetrathiocyclooctane
    • Inchi: 1S/C4H8S4/c1-2-6-8-4-3-7-5-1/h1-4H2
    • InChI Key: AKINNVDGHCPCAP-UHFFFAOYSA-N
    • SMILES: S1CCSSCCS1

Computed Properties

  • Exact Mass: 183.95104
  • Monoisotopic Mass: 183.951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 40
  • 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: 1.4
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.318
  • Boiling Point: 299.4°C at 760 mmHg
  • Flash Point: 146.1°C
  • PSA: 0
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