Cas no 2388-71-8 (Benzene, 1,3,5-tris(methylthio)-)

Benzene, 1,3,5-tris(methylthio)- structure
2388-71-8 structure
Product Name:Benzene, 1,3,5-tris(methylthio)-
CAS No:2388-71-8
MF:C9H12S3
MW:216.386578559875
CID:1415566
PubChem ID:12719215
Update Time:2025-04-20

Benzene, 1,3,5-tris(methylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,3,5-tris(methylthio)-
    • 2388-71-8
    • DTXSID901308000
    • 1,3,5-Tris(methylthio)benzene
    • SCHEMBL2866234
    • Inchi： 1S/C9H12S3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
    • InChI Key： SPXSBLGQTGUAQM-UHFFFAOYSA-N
    • SMILES： S(C)C1C=C(C=C(C=1)SC)SC

Computed Properties

  • Exact Mass: 216.01026
  • Monoisotopic Mass: 216.01011390g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 91.2
  • 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: 3.5
  • Topological Polar Surface Area: 75.9?2

Experimental Properties

  • PSA: 0

Benzene, 1,3,5-tris(methylthio)- Related Literature

2388-71-8 (Benzene, 1,3,5-tris(methylthio)-) Related Products

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