Cas no 33951-45-0 (Thioimidodicarbonicdiamide ([(H2N)C(S)]2NH), N,N'-diphenyl-)

Thioimidodicarbonicdiamide ([(H2N)C(S)]2NH), N,N'-diphenyl- structure
33951-45-0 structure
Product Name:Thioimidodicarbonicdiamide ([(H2N)C(S)]2NH), N,N'-diphenyl-
CAS No:33951-45-0
MF:C14H13N3S2
MW:287.403119802475
CID:323226
PubChem ID:4361325
Update Time:2025-04-19

Thioimidodicarbonicdiamide ([(H2N)C(S)]2NH), N,N'-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • Thioimidodicarbonicdiamide ([(H2N)C(S)]2NH), N,N'-diphenyl-
    • 1-phenyl-3-(phenylcarbamothioyl)thiourea
    • (phenylamino){[(phenylamino)thioxomethyl]amino}methane-1-thione
    • 1,5-diphenyl 2,4-dithiobiuret
    • 1,5-Diphenyl-2,4-dithiobiuret
    • 1,5-diphenyldithiobiuret
    • 1,5-Diphenyl-dithiobiuret
    • 1.5-Diphenyl-2,4-dithiobiuret
    • AC1N9IOW
    • LS-44797
    • NSC508349
    • ST001495
    • NIOSH/EC1550000
    • DTXSID00402363
    • 1,5-diphenyldithi-obiuret
    • SCHEMBL730314
    • AKOS003238259
    • EC15500000
    • RD 1737
    • 33951-45-0
    • Biuret, 1,5-diphenyl-2,4-dithio-
    • NSC-508349
    • Inchi: 1S/C14H13N3S2/c18-13(15-11-7-3-1-4-8-11)17-14(19)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18,19)
    • InChI Key: NSDCIFFKTHMTJF-UHFFFAOYSA-N
    • SMILES: S=C(NC(NC1C=CC=CC=1)=S)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 287.05529
  • Monoisotopic Mass: 287.055
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 278
  • 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: 2.4
  • Topological Polar Surface Area: 100A^2

Experimental Properties

  • Density: 1.381
  • Boiling Point: 415.3°Cat760mmHg
  • Flash Point: 205°C
  • Refractive Index: 1.786
  • PSA: 36.09
  • LogP: 3.90690
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