4-(Dansylamino)phenyl isothiocyanate
[CAS# 102417-94-7]

Identification

• Name: 4-(Dansylamino)phenyl isothiocyanate
• Synonyms: 5-Dimethylamino-N-(4-Isothiocyanatophenyl)-1-Naphthalenesulfonamide; 4-(N-1-Dimethylaminonaphthalene-5-Sulfonylamino)Phenyl Isothiocyanate; Dansylamino-Pitc
• Molecular Formula: C₁₉H₁₇N₃O₂S₂
• Molecular Weight: 383.48
• CAS Registry Number: 102417-94-7
• SMILES: S=C=NC3=CC=C(N[S](C1=CC=CC2=C1C=CC=C2N(C)C)(=O)=O)C=C3
• InChI: 1S/C19H17N3O2S2/c1-22(2)18-7-3-6-17-16(18)5-4-8-19(17)26(23,24)21-15-11-9-14(10-12-15)20-13-25/h3-12,21H,1-2H3
• InChIKey: MZGXHCHKGRQLHR-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 568.982°C at 760 mmHg (Cal.)
• Flash point: 297.91°C (Cal.)