Cas no 58554-12-4 (Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]-)

Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]- structure
58554-12-4 structure
Product Name:Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]-
CAS No:58554-12-4
MF:C10H10N2O2S
MW:222.263600826263
CID:385989
PubChem ID:3603213
Update Time:2025-04-19

Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]-
    • N-(ethanethioylcarbamoyl)benzamide
    • NSC-264248
    • 58554-12-4
    • DTXSID70394064
    • NSC264248
    • Inchi: 1S/C10H10N2O2S/c1-7(15)11-10(14)12-9(13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13,14,15)
    • InChI Key: RHVKPZJBVFAJNF-UHFFFAOYSA-N
    • SMILES: S=C(C)NC(NC(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 222.0464
  • Monoisotopic Mass: 222.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 273
  • 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: 1.9
  • Topological Polar Surface Area: 90.3?2

Experimental Properties

  • Density: 1.279
  • Refractive Index: 1.607
  • PSA: 58.2
  • LogP: 2.25510

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