4-(Methylthio)-3-Butenyl isothiocyanate
[CAS# 51598-96-0]

Identification

• Name: 4-(Methylthio)-3-Butenyl isothiocyanate
• Synonyms: 4-Isothiocyanato-1-Methylsulfanylbut-1-Ene; 4-Isothiocyanato-1-Methylsulfanyl-But-1-Ene; (E)-4-Isothiocyanato-1-Methylsulfanyl-But-1-Ene
• Molecular Formula: C₆H₉NS₂
• Molecular Weight: 159.26
• CAS Registry Number: 51598-96-0
• SMILES: S=C=NCC/C=C/SC
• InChI: 1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3+
• InChIKey: RYSPJKHYSHFYEB-HWKANZROSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 255.299°C at 760 mmHg (Cal.)
• Flash point: 108.201°C (Cal.)