Cas no 109684-09-5 (Acetic acid, [[[4-(methylthio)phenyl]thioxomethyl]thio]-)

Acetic acid, [[[4-(methylthio)phenyl]thioxomethyl]thio]- structure
109684-09-5 structure
Product Name:Acetic acid, [[[4-(methylthio)phenyl]thioxomethyl]thio]-
CAS No:109684-09-5
MF:C10H10O2S3
MW:258.380198955536
CID:1192966
Update Time:2024-08-05

Acetic acid, [[[4-(methylthio)phenyl]thioxomethyl]thio]- Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, [[[4-(methylthio)phenyl]thioxomethyl]thio]-
    • Acetic acid, 2-[[[4-(methylthio)phenyl]thioxomethyl]thio]-
    • Inchi: 1S/C10H10O2S3/c1-14-8-4-2-7(3-5-8)10(13)15-6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
    • InChI Key: UTKTXKDPOIWMEU-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CSC(C1=CC=C(SC)C=C1)=S

Computed Properties

  • Exact Mass: 257.9844

Experimental Properties

  • Density: 1.40±0.1 g/cm3(Predicted)
  • Boiling Point: 432.1±55.0 °C(Predicted)
  • PSA: 37.3
  • pka: 2.91±0.10(Predicted)
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