Cas no 5467-00-5 (Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl-)

Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl- structure
5467-00-5 structure
Product Name:Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl-
CAS No:5467-00-5
MF:C16H16N2OS
MW:284.376042366028
CID:385411
PubChem ID:4371187
Update Time:2025-04-19

Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N-[4-(1-oxopropyl)phenyl]-N'-phenyl-
    • 1-phenyl-3-(4-propanoylphenyl)thiourea
    • AC1NA3W6
    • CTK1H4703
    • NSC177015
    • NSC-177015
    • NSC177945
    • NSC-177945
    • NSC28621
    • NSC-28621
    • N-Phenyl-N'-(4-propanoylphenyl)thiourea
    • NSC 28621
    • NSC 177015
    • DTXSID20402502
    • NSC 177945
    • 5467-00-5
    • Inchi: 1S/C16H16N2OS/c1-2-15(19)12-8-10-14(11-9-12)18-16(20)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,17,18,20)
    • InChI Key: PDRCMRGBKDMKJN-UHFFFAOYSA-N
    • SMILES: S=C(NC1C=CC=CC=1)NC1C=CC(=CC=1)C(CC)=O

Computed Properties

  • Exact Mass: 284.09848
  • Monoisotopic Mass: 284.09833431g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 331
  • 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: 3.4
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • PSA: 41.13
  • LogP: 4.23420
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