Cas no 89363-81-5 (Benzene, 1,4-dimethoxy-2-(phenylthio)-)

Benzene, 1,4-dimethoxy-2-(phenylthio)- structure
89363-81-5 structure
Product Name:Benzene, 1,4-dimethoxy-2-(phenylthio)-
CAS No:89363-81-5
MF:C14H14O2S
MW:246.324762821198
MDL:MFCD31923706
CID:603173
PubChem ID:13167171
Update Time:2025-04-19

Benzene, 1,4-dimethoxy-2-(phenylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,4-dimethoxy-2-(phenylthio)-
    • 1,4-dimethoxy-2-phenylsulfanylbenzene
    • DTXSID20524238
    • 89363-81-5
    • 1,4-Dimethoxy-2-(phenylsulfanyl)benzene
    • SCHEMBL2887157
    • MDL: MFCD31923706
    • Inchi: 1S/C14H14O2S/c1-15-11-8-9-13(16-2)14(10-11)17-12-6-4-3-5-7-12/h3-10H,1-2H3
    • InChI Key: WKFNQSFSKDFFOJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)C1C=C(C=CC=1OC)OC

Computed Properties

  • Exact Mass: 246.07145086g/mol
  • Monoisotopic Mass: 246.07145086g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 216
  • 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: 3.9
  • Topological Polar Surface Area: 43.8?2
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