Cas no 4921-91-9 (3-benzoyl-1-benzylthiourea)

3-benzoyl-1-benzylthiourea structure
3-benzoyl-1-benzylthiourea structure
Product Name:3-benzoyl-1-benzylthiourea
CAS No:4921-91-9
MF:C15H14N2OS
MW:270.349462032318
CID:334288
PubChem ID:700976
Update Time:2025-04-19

3-benzoyl-1-benzylthiourea Chemical and Physical Properties

Names and Identifiers

    • Benzamide,N-[[(phenylmethyl)amino]thioxomethyl]-
    • N-(benzylcarbamothioyl)benzamide
    • 1-benzoyl-3-benzyl-thiourea
    • AC1LDTAZ
    • CHEMBL1478462
    • F0300-0203
    • HMS2601E23
    • N-Benzoyl-N'-benzyl-thioharnstoff
    • N-benzoyl-N'-benzylthiourea
    • N-benzoyl-N'-benzyl-thiourea
    • N-benzyl-N'-benzoylthiourea
    • NSC118974
    • STK133694
    • N-(Benzylaminothiocarbonyl)benzamide
    • NSC 118974
    • 3-benzoyl-1-benzylthiourea
    • 4921-91-9
    • SMR000271982
    • EN300-18207124
    • MLS000676251
    • DTXSID60351469
    • N-[(benzylamino)carbonothioyl]benzamide
    • SR-01000254239
    • AKOS001051218
    • SCHEMBL14096444
    • Z56061885
    • NSC-118974
    • SR-01000254239-1
    • 1-BENZOYL-3-BENZYLTHIOUREA
    • BDBM50443481
    • Inchi: 1S/C15H14N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18,19)
    • InChI Key: GKQAXDYFHYRLSD-UHFFFAOYSA-N
    • SMILES: S=C(NC(C1C=CC=CC=1)=O)NCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 270.08282
  • Monoisotopic Mass: 270.083
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 307
  • 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: 3.5
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • Density: 1.224±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 142-145 oC
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.643
  • Solubility: Almost insoluble (0.035 g/l) (25 o C),
  • PSA: 41.13

3-benzoyl-1-benzylthiourea Pricemore >>

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