(3aR,4S,7R,7aS)-rel-Hexahydro-4,7-Methanobenzotrithiole
[CAS# 23657-27-4]

Identification

• Name: (3aR,4S,7R,7aS)-rel-Hexahydro-4,7-Methanobenzotrithiole
• Synonyms: 4,7-Methanobenzotrithiole, Hexahydro-
• Molecular Formula: C₇H₈S₃
• Molecular Weight: 188.32
• CAS Registry Number: 23657-27-4
• SMILES: [C@@H]12SSS[C@@H]1[C@H]3C[C@@H]2C=C3
• InChI: 1S/C7H8S3/c1-2-5-3-4(1)6-7(5)9-10-8-6/h1-2,4-7H,3H2/t4-,5+,6-,7+
• InChIKey: GFIOREJKLBPVEB-UMRXKNAASA-N

Properties

• Density: 1.436g/cm³ (Cal.)
• Boiling point: 320.203°C at 760 mmHg (Cal.)
• Flash point: 162.189°C (Cal.)