Cas no 13991-81-6 (Thiourea,N,N'-bis[4-(dimethylamino)phenyl]-)

Thiourea,N,N'-bis[4-(dimethylamino)phenyl]- structure
13991-81-6 structure
Product Name:Thiourea,N,N'-bis[4-(dimethylamino)phenyl]-
CAS No:13991-81-6
MF:C17H22N4S
MW:314.448381900787
CID:180572
Update Time:2024-01-25

Thiourea,N,N'-bis[4-(dimethylamino)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Thiourea,N,N'-bis[4-(dimethylamino)phenyl]-
    • 1,1-bis[4-(dimethylamino)phenyl]thiourea
    • 4,4'-BIS(DIMETHYLAMINO)THIOCARBANILIDE
    • N,N'-Bis-(4-dimethylamino-phenyl)-thioharnstoff
    • N,N'-bis-(4-dimethylamino-phenyl)-thiourea
    • N,N-BIS(4-DIMETHYLAMINOPHENYL)THIOUREA
    • 1,3-BIS(4-(DIMETHYLAMINO)PHENYL)-2-THIOUREA
    • Thiourea, N,N'-bis[4-(dimethylamino)phenyl]-
    • Inchi: 1S/C17H22N4S/c1-20(2)15-9-5-13(6-10-15)18-17(22)19-14-7-11-16(12-8-14)21(3)4/h5-12H,1-4H3,(H2,18,19,22)
    • InChI Key: PZLTXMRUOFZLOW-UHFFFAOYSA-N
    • SMILES: N(C1=CC=C(N(C)C)C=C1)C(NC1=CC=C(N(C)C)C=C1)=S

Computed Properties

  • Exact Mass: 314.15676
  • Monoisotopic Mass: 314.156517
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 311
  • 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: 62.6

Experimental Properties

  • Density: 1.239
  • Boiling Point: 464.4°Cat760mmHg
  • Flash Point: 234.7°C
  • Refractive Index: 1.727
  • PSA: 30.54
  • LogP: 3.77350
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