5-Isopropyl-4-Isothiocyanato-1,2-Oxazole
[CAS# 122686-03-7]

Identification

• Name: 5-Isopropyl-4-Isothiocyanato-1,2-Oxazole
• Synonyms: 5-isopropyl-4-isothiocyanatoisoxazole
• Molecular Formula: C₇H₈N₂OS
• Molecular Weight: 168.22
• CAS Registry Number: 122686-03-7
• SMILES: CC(C)c1c(cno1)N=C=S
• InChI: 1S/C7H8N2OS/c1-5(2)7-6(8-4-11)3-9-10-7/h3,5H,1-2H3
• InChIKey: CPIQZNUODBYMGI-UHFFFAOYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 283.093°C at 760 mmHg (Cal.)
• Flash point: 125.01°C (Cal.)
• Refractive index: 1.584 (Cal.)