Cas no 6454-02-0 (Methanone, benzo[b]thien-2-ylphenyl-)

Methanone, benzo[b]thien-2-ylphenyl- structure
6454-02-0 structure
Product Name:Methanone, benzo[b]thien-2-ylphenyl-
CAS No:6454-02-0
MF:C15H10OS
MW:238.304302692413
CID:1679940
Update Time:2024-09-03

Methanone, benzo[b]thien-2-ylphenyl- Chemical and Physical Properties

Names and Identifiers

    • Methanone, benzo[b]thien-2-ylphenyl-
    • Inchi: 1S/C15H10OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-10H
    • InChI Key: KXWSLCVIAOCIQA-UHFFFAOYSA-N
    • SMILES: C(C1SC2=CC=CC=C2C=1)(C1=CC=CC=C1)=O

Computed Properties

  • Exact Mass: 238.0453
  • Monoisotopic Mass: 238.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 283
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.246±0.06 g/cm3(Predicted)
  • Melting Point: 48 °C(Solv: ethanol (64-17-5))
  • Boiling Point: 397.5±15.0 °C(Predicted)
  • PSA: 17.07
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