2-(Tert-Butyl)-9H-Thioxanthen-9-One
[CAS# 5495-87-4]

Identification

• Name: 2-(Tert-Butyl)-9H-Thioxanthen-9-One
• Synonyms: 3-Tert-Butyl-9-Thioxanthenone; 2-(Tert-Butyl)-9H-Thioxanthen-9-One
• Molecular Formula: C₁₇H₁₆OS
• Molecular Weight: 268.37
• CAS Registry Number: 5495-87-4
• EINECS: 226-828-4
• SMILES: C1=C2C(=CC=C1C(C)(C)C)C(C3=C(S2)C=CC=C3)=O
• InChI: 1S/C17H16OS/c1-17(2,3)11-8-9-13-15(10-11)19-14-7-5-4-6-12(14)16(13)18/h4-10H,1-3H3
• InChIKey: KFZOCFFWSYNXTH-UHFFFAOYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 403.876°C at 760 mmHg (Cal.)
• Flash point: 216.606°C (Cal.)