Cas no 117174-79-5 (N-(3,5-Dimethylphenyl)carbamothioylbenzamide)

N-(3,5-Dimethylphenyl)carbamothioylbenzamide structure
117174-79-5 structure
Product Name:N-(3,5-Dimethylphenyl)carbamothioylbenzamide
CAS No:117174-79-5
MF:C16H16N2OS
MW:284.376042366028
MDL:MFCD02631870
CID:1206715
PubChem ID:884617
Update Time:2025-04-20

N-(3,5-Dimethylphenyl)carbamothioylbenzamide Chemical and Physical Properties

Names and Identifiers

    • N-[(3,5-Dimethylphenyl)carbamothioyl]benzamide
    • 1-BENZOYL-3-(3,5-DIMETHYLPHENYL)THIOUREA
    • 1-Benzoyl-3-(3,5-dimethylphenyl)thiourea, 5-[(Benzoylcarbamothioyl)amino]-m-xylene
    • N-(3,5-dimethylphenylcarbamothioyl)benzamide
    • MFCD02631870
    • 117174-79-5
    • STK141143
    • Benzamide, N-[[(3,5-dimethylphenyl)amino]thioxomethyl]-
    • PS-7200
    • SCHEMBL5713540
    • AKOS003220611
    • N-((3,5-Dimethylphenyl)carbamothioyl)benzamide
    • CS-0321254
    • YAEFVXZQXWJXLF-UHFFFAOYSA-N
    • N-(3,5-Dimethylphenyl)carbamothioylbenzamide
    • MDL: MFCD02631870
    • Inchi: 1S/C16H16N2OS/c1-11-8-12(2)10-14(9-11)17-16(20)18-15(19)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,17,18,19,20)
    • InChI Key: YAEFVXZQXWJXLF-UHFFFAOYSA-N
    • SMILES: S=C(NC(C1C=CC=CC=1)=O)NC1C=C(C)C=C(C)C=1

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: 2
  • Complexity: 342
  • 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: 4.2
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • PSA: 41.13

N-(3,5-Dimethylphenyl)carbamothioylbenzamide Security Information

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