Cas no 16822-31-4 (phosphorane, bis(4-methylphenyl)phenyl-, sulfide)

phosphorane, bis(4-methylphenyl)phenyl-, sulfide structure
16822-31-4 structure
Product Name:phosphorane, bis(4-methylphenyl)phenyl-, sulfide
CAS No:16822-31-4
MF:C20H19PS
MW:322.403624773026
CID:1349090
PubChem ID:53869001
Update Time:2025-04-20

phosphorane, bis(4-methylphenyl)phenyl-, sulfide Chemical and Physical Properties

Names and Identifiers

    • phosphorane, bis(4-methylphenyl)phenyl-, sulfide
    • Bis(4-methylphenyl)(phenyl)phosphine sulfide
    • LogP
    • bis(4-methylphenyl)-phenyl-sulfanylidene-λ<sup>5</sup>-phosphane
    • 16822-31-4
    • Bis(4-methylphenyl)(phenyl)sulfanylidene-lambda~5~-phosphane
    • DTXSID90707273
    • SCHEMBL10521791
    • Inchi: 1S/C20H19PS/c1-16-8-12-19(13-9-16)21(22,18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3
    • InChI Key: HBTVPYKDOWMLIA-UHFFFAOYSA-N
    • SMILES: S=P(C1C=CC=CC=1)(C1C=CC(C)=CC=1)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 322.09467
  • Monoisotopic Mass: 322.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 357
  • 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
  • XLogP3: 6.5
  • Topological Polar Surface Area: 32.1?2

Experimental Properties

  • Density: 1.169
  • Boiling Point: 450.821°C at 760 mmHg
  • Flash Point: 226.448°C
  • Refractive Index: 1.638
  • PSA: 0
  • LogP: 4.70980
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