3-(Isothiocyanatomethyl)Heptane
[CAS# 21663-56-9]

Identification

• Name: 3-(Isothiocyanatomethyl)Heptane
• Synonyms: Zinc04218552
• Molecular Formula: C₉H₁₇NS
• Molecular Weight: 171.30
• CAS Registry Number: 21663-56-9
• SMILES: S=C=NC[C@@H](CCCC)CC
• InChI: 1S/C9H17NS/c1-3-5-6-9(4-2)7-10-8-11/h9H,3-7H2,1-2H3/t9-/m1/s1
• InChIKey: ZYEYDQLSVHQXDC-SECBINFHSA-N

Properties

• Density: 0.907g/cm³ (Cal.)
• Boiling point: 245.292°C at 760 mmHg (Cal.)
• Flash point: 101.492°C (Cal.)