Cas no 1614-30-8 (Thiourea,N,N''-[1,1'-biphenyl]-4,4'-diylbis-)

Thiourea,N,N''-[1,1'-biphenyl]-4,4'-diylbis- structure
1614-30-8 structure
Product Name:Thiourea,N,N''-[1,1'-biphenyl]-4,4'-diylbis-
CAS No:1614-30-8
MF:C14H14N4S2
MW:302.417759418488
CID:213858
PubChem ID:3032409
Update Time:2025-04-19

Thiourea,N,N''-[1,1'-biphenyl]-4,4'-diylbis- Chemical and Physical Properties

Names and Identifiers

    • Thiourea,N,N''-[1,1'-biphenyl]-4,4'-diylbis-
    • [4-[4-(carbamothioylamino)phenyl]phenyl]thiourea
    • p,p'-Biphenylene-bis-1,1'-(2-thiourea)
    • 4,4'-Biphenylene bis(thiourea)
    • AI3-24608
    • BRN 2386663
    • N,N''-biphenyl-4,4'-diylbis(thiourea)
    • Thiourea, N,N''-(1,1'-biphenyl)-4,4'-diylbis-
    • Urea, 1,1'-(4,4'-biphenylyene)bis(2-thio-
    • 0-13-00-00229 (Beilstein Handbook Reference)
    • DTXSID00167142
    • p,p/'-Biphenylene-bis-1,1/'-(2-thiourea)
    • 1614-30-8
    • Inchi: 1S/C14H14N4S2/c15-13(19)17-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-14(16)20/h1-8H,(H3,15,17,19)(H3,16,18,20)
    • InChI Key: FAOJSYHCXVRQKK-UHFFFAOYSA-N
    • SMILES: S=C(N)NC1C=CC(=CC=1)C1C=CC(=CC=1)NC(N)=S

Computed Properties

  • Exact Mass: 302.06622
  • Monoisotopic Mass: 302.065988
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • 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
  • Topological Polar Surface Area: 140
  • XLogP3: 2

Experimental Properties

  • Density: 1.433
  • Boiling Point: 501.9°Cat760mmHg
  • Flash Point: 257.3°C
  • Refractive Index: 1.818
  • PSA: 76.1
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