2-Isothiocyanato-5-Methyl-10,11-Dihydro-5H-Dibenzo(a,d)Cyclohepten-5,10-Imine
[CAS# 149715-73-1]

Identification

• Name: 2-Isothiocyanato-5-Methyl-10,11-Dihydro-5H-Dibenzo(a,d)Cyclohepten-5,10-Imine
• Synonyms: 2-Ncs-Dizocilpine; Mk-801 2-Isothiocyanate
• Molecular Formula: C₁₇H₁₄N₂S
• Molecular Weight: 278.37
• CAS Registry Number: 149715-73-1
• SMILES: S=C=NC4=CC=C3C1(NC(C2=CC=CC=C12)CC3=C4)C
• InChI: 1S/C17H14N2S/c1-17-14-7-6-12(18-10-20)8-11(14)9-16(19-17)13-4-2-3-5-15(13)17/h2-8,16,19H,9H2,1H3
• InChIKey: SAPCJZOHSAJPDX-UHFFFAOYSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 415.99°C at 760 mmHg (Cal.)
• Flash point: 205.383°C (Cal.)