Cas no 2974-10-9 (Benzene,1,3-bis(phenylthio)-)

Benzene,1,3-bis(phenylthio)- structure
Benzene,1,3-bis(phenylthio)- structure
Product Name:Benzene,1,3-bis(phenylthio)-
CAS No:2974-10-9
MF:C18H14S2
MW:294.433762073517
CID:266782
PubChem ID:76309
Update Time:2025-04-19

Benzene,1,3-bis(phenylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,3-bis(phenylthio)-
    • 1,3-Bis(phenylsulfanyl)benzene
    • SCHEMBL3894071
    • m-bis(phenylmercapto) benzene
    • Benzene, 1,3-bis(phenylthio)-
    • m-bis(phenylmercapto)benzene
    • FOXSXNJTWXVMEA-UHFFFAOYSA-N
    • DTXSID2062749
    • 2974-10-9
    • Inchi: 1S/C18H14S2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-14H
    • InChI Key: FOXSXNJTWXVMEA-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)C1C=CC=C(C=1)SC1C=CC=CC=1

Computed Properties

  • Exact Mass: 294.05382
  • Monoisotopic Mass: 294.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 241
  • 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: 6.5
  • Topological Polar Surface Area: 50.6A^2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 461.5°Cat760mmHg
  • Flash Point: 240.9°C
  • Refractive Index: 1.702
  • PSA: 0
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