4-Isopropyl-1-Methyl-7-Thiabicyclo[2.2.1]Heptane
[CAS# 68391-28-6]

Identification

• Name: 4-Isopropyl-1-Methyl-7-Thiabicyclo[2.2.1]Heptane
• Synonyms: 1-Isopropyl-4-Methyl-7-Thiabicyclo[2.2.1]Heptane; Thiocineole; 1,8-Thiocineol
• Molecular Formula: C₁₀H₁₈S
• Molecular Weight: 170.31
• CAS Registry Number: 68391-28-6
• EINECS: 269-939-3
• SMILES: CC12SC(CC1)(CC2)C(C)C
• InChI: 1S/C10H18S/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
• InChIKey: PUQONFDEJWVBAS-UHFFFAOYSA-N

Properties

• Density: 1.024g/cm³ (Cal.)
• Boiling point: 213.105°C at 760 mmHg (Cal.)
• Flash point: 72.477°C (Cal.)