Cas no 66202-83-3 (Ethanethioic acid, S-(4-hydroxyphenyl) ester)

Ethanethioic acid, S-(4-hydroxyphenyl) ester structure
66202-83-3 structure
Product Name:Ethanethioic acid, S-(4-hydroxyphenyl) ester
CAS No:66202-83-3
MF:C8H8O2S
MW:168.212921142578
CID:1704635
Update Time:2024-08-30

Ethanethioic acid, S-(4-hydroxyphenyl) ester Chemical and Physical Properties

Names and Identifiers

    • Ethanethioic acid, S-(4-hydroxyphenyl) ester
    • Inchi: 1S/C8H8O2S/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3
    • InChI Key: IJSXEJAGIOTPSG-UHFFFAOYSA-N
    • SMILES: C(SC1=CC=C(O)C=C1)(=O)C

Computed Properties

  • Exact Mass: 168.02454

Experimental Properties

  • Density: 1.28±0.1 g/cm3(Predicted)
  • Melting Point: 85-86 °C(Solv: benzene (71-43-2); hexane (110-54-3))
  • Boiling Point: 309.3±25.0 °C(Predicted)
  • PSA: 37.3
  • pka: 8.91±0.13(Predicted)
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