Cas no 35181-66-9 (Benzenethiol, 4-(phenylsulfonyl)-)

Benzenethiol, 4-(phenylsulfonyl)- structure
35181-66-9 structure
Product Name:Benzenethiol, 4-(phenylsulfonyl)-
CAS No:35181-66-9
MF:C12H10O2S2
MW:250.336600780487
CID:1468586
Update Time:2024-08-24

Benzenethiol, 4-(phenylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenethiol, 4-(phenylsulfonyl)-
    • Inchi: 1S/C12H10O2S2/c13-16(14,11-4-2-1-3-5-11)12-8-6-10(15)7-9-12/h1-9,15H
    • InChI Key: PVDXGXYFQAGKPL-UHFFFAOYSA-N
    • SMILES: C1(S)=CC=C(S(C2=CC=CC=C2)(=O)=O)C=C1

Computed Properties

  • Exact Mass: 250.0123

Experimental Properties

  • Density: 1.314±0.06 g/cm3(Predicted)
  • Boiling Point: 428.9±28.0 °C(Predicted)
  • PSA: 34.14
  • pka: 4.83±0.10(Predicted)
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