Cas no 3325-33-5 (1,2,3-trithiane)

1,2,3-trithiane structure
1,2,3-trithiane structure
Product Name:1,2,3-trithiane
CAS No:3325-33-5
MF:C3H6S3
MW:138.274736881256
CID:917768
PubChem ID:123186
Update Time:2025-04-19

1,2,3-trithiane Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-trithiane
    • N-Trithiane, 8CI
    • SCHEMBL1041232
    • TYP41AL8SG
    • V-TRITHIANE
    • DTXSID00954892
    • UNII-TYP41AL8SG
    • 1,2,3-trithiacyclohexane
    • BVOMRRWJQOJMPA-UHFFFAOYSA-N
    • Q27119769
    • trithiane
    • CHEBI:39194
    • 1,2,3-Trithian
    • 3325-33-5
    • Inchi: 1S/C3H6S3/c1-2-4-6-5-3-1/h1-3H2
    • InChI Key: BVOMRRWJQOJMPA-UHFFFAOYSA-N
    • SMILES: S1CCCSS1

Computed Properties

  • Exact Mass: 137.96328
  • Monoisotopic Mass: 137.96316371g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 33
  • 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: 1.5
  • Topological Polar Surface Area: 75.9?2

Experimental Properties

  • PSA: 0
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