Cas no 13140-60-8 (Thiourea, N-(3-fluorophenyl)-N'-phenyl-)

Thiourea, N-(3-fluorophenyl)-N'-phenyl- structure
13140-60-8 structure
Product Name:Thiourea, N-(3-fluorophenyl)-N'-phenyl-
CAS No:13140-60-8
MF:C13H11FN2S
MW:246.303244829178
CID:1228303
Update Time:2024-08-03

Thiourea, N-(3-fluorophenyl)-N'-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N-(3-fluorophenyl)-N'-phenyl-
    • Inchi： 1S/C13H11FN2S/c14-10-5-4-8-12(9-10)16-13(17)15-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
    • InChI Key： PCVWQZHFWFIIPZ-UHFFFAOYSA-N
    • SMILES： N(C1=CC=CC(F)=C1)C(NC1=CC=CC=C1)=S

Computed Properties

  • Exact Mass: 246.06283

Experimental Properties

  • Density: 1.353±0.06 g/cm3(Predicted)
  • Melting Point: 128-129 °C(Solv: ethanol (64-17-5))
  • Boiling Point: 343.5±44.0 °C(Predicted)
  • PSA: 24.06
  • pka: 12.14±0.70(Predicted)

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