Cas no 15398-69-3 (Disulfide,bis(4-isothiocyanatophenyl) (9CI))

Disulfide,bis(4-isothiocyanatophenyl) (9CI) structure
15398-69-3 structure
Product Name:Disulfide,bis(4-isothiocyanatophenyl) (9CI)
CAS No:15398-69-3
MF:C14H8N2S4
MW:332.486717224121
CID:181837
PubChem ID:242961
Update Time:2025-04-19

Disulfide,bis(4-isothiocyanatophenyl) (9CI) Chemical and Physical Properties

Names and Identifiers

    • Disulfide,bis(4-isothiocyanatophenyl) (9CI)
    • 1-isothiocyanato-4-[(4-isothiocyanatophenyl)disulfanyl]benzene
    • 1,1'-Dithiobis(4-isothiocyanatobenzene)
    • AC1L6AJM
    • AC1Q7EX4
    • AR-1I0328
    • bis(4-isothiocyanatophenyl) disulfide
    • CHEMBL120952
    • CTK4C8062
    • NSC52085
    • NSC-52085
    • DTXSID00165502
    • 15398-69-3
    • Disulfide, bis(4-isothiocyanatophenyl)
    • ISOTHIOCYANIC ACID, DITHIODI-P-PHENYLENE ESTER
    • SCHEMBL483870
    • Y9AWX51EZT
    • UNII-Y9AWX51EZT
    • DIPHENYL DISULFIDE 4,4'-DIISOTHIOCYANATE
    • NSC 52085
    • DISULFIDE, BIS(P-ISOTHIOCYANATOPHENYL)
    • Inchi: 1S/C14H8N2S4/c17-9-15-11-1-5-13(6-2-11)19-20-14-7-3-12(4-8-14)16-10-18/h1-8H
    • InChI Key: IGFVJCSYXLNCHM-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)N=C=S)SC1C=CC(=CC=1)N=C=S

Computed Properties

  • Exact Mass: 331.95724
  • Monoisotopic Mass: 331.957
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 348
  • 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: 6.8
  • Topological Polar Surface Area: 140?2

Experimental Properties

  • Density: 1.29
  • Boiling Point: 493.9°Cat760mmHg
  • Flash Point: 252.5°C
  • Refractive Index: 1.691
  • PSA: 24.72
  • LogP: 5.95460
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