4,4'-Diisothiocyanatebiphenyl

Base Information

• Chemical Name: 4,4'-Diisothiocyanatebiphenyl
• CAS No.: 18705-45-8
• Molecular Formula: C14H8N2S2
• DSSTox Substance ID: DTXSID80877671
• Nikkaji Number: J284.496F

Synonyms:4,4'-DIISOTHIOCYANATEBIPHENYL;SCHEMBL1548531;DTXSID80877671;18705-45-8

Chemical Property of 4,4'-Diisothiocyanatebiphenyl

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 268.01289061
• Heavy Atom Count: 18
• Complexity: 318

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Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N=C=S)N=C=S

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