Cas no 5801-47-8 (Borane,[(2-methyl-1-naphthyl)imino]bis[chloro[(2-methyl-1-naphthyl)amino]- (7CI,8CI))

Borane,[(2-methyl-1-naphthyl)imino]bis[chloro[(2-methyl-1-naphthyl)amino]- (7CI,8CI) structure
5801-47-8 structure
Product Name:Borane,[(2-methyl-1-naphthyl)imino]bis[chloro[(2-methyl-1-naphthyl)amino]- (7CI,8CI)
CAS No:5801-47-8
MF:C19H17N3S
MW:319.423382520676
CID:379387
PubChem ID:832774
Update Time:2025-04-19

Borane,[(2-methyl-1-naphthyl)imino]bis[chloro[(2-methyl-1-naphthyl)amino]- (7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • Borane,[(2-methyl-1-naphthyl)imino]bis[chloro[(2-methyl-1-naphthyl)amino]- (7CI,8CI)
    • 1-(4-anilinophenyl)-3-phenylthiourea
    • thiourea, N-phenyl-N'-[4-(phenylamino)phenyl]-
    • AB00097486-01
    • BIM-0033828.P001
    • 5801-47-8
    • AKOS000486297
    • N-(4-anilinophenyl)-N'-phenylthiourea
    • Oprea1_673783
    • DTXSID90356785
    • AN-329/40157813
    • SR-01000522892
    • SR-01000522892-1
    • CBMicro_033915
    • Inchi: 1S/C19H17N3S/c23-19(21-16-9-5-2-6-10-16)22-18-13-11-17(12-14-18)20-15-7-3-1-4-8-15/h1-14,20H,(H2,21,22,23)
    • InChI Key: VXQZVDBWUWXEBX-UHFFFAOYSA-N
    • SMILES: S=C(NC1C=CC=CC=1)NC1C=CC(=CC=1)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 319.11451
  • Monoisotopic Mass: 319.11431873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 354
  • 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: 3.7
  • Topological Polar Surface Area: 68.2?2

Experimental Properties

  • PSA: 36.09

Borane,[(2-methyl-1-naphthyl)imino]bis[chloro[(2-methyl-1-naphthyl)amino]- (7CI,8CI) Related Literature

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