Cas no 100887-07-8 (Benzenemethanethiol, 4-(phenylmethyl)-)

Benzenemethanethiol, 4-(phenylmethyl)- structure
100887-07-8 structure
Product Name:Benzenemethanethiol, 4-(phenylmethyl)-
CAS No:100887-07-8
MF:C14H14S
MW:214.325962543488
CID:1126516
Update Time:2024-07-27

Benzenemethanethiol, 4-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanethiol, 4-(phenylmethyl)-
    • Inchi: 1S/C14H14S/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
    • InChI Key: LOCYIGJMTTUSPU-UHFFFAOYSA-N
    • SMILES: C1(CS)=CC=C(CC2=CC=CC=C2)C=C1

Computed Properties

  • Exact Mass: 392.22144

Experimental Properties

  • Density: 1.075±0.06 g/cm3(Predicted)
  • Melting Point: 85 °C
  • Boiling Point: 340.2±11.0 °C(Predicted)
  • PSA: 0
  • pka: 9.76±0.10(Predicted)

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