1-Octanethiosulfonic Acid S-Octyl Ester
[CAS# 7651-62-9]

Identification

• Name: 1-Octanethiosulfonic Acid S-Octyl Ester
• Synonyms: 1-(Octylsulfonylthio)Octane; 1-Octanesulfonothioic Acid, S-Octyl Ester; 1-Octanesulfonothioic Acid, S-Octyl Ester (9Ci)
• Molecular Formula: C₁₆H₃₄O₂S₂
• Molecular Weight: 322.56
• CAS Registry Number: 7651-62-9
• SMILES: C(S[S](CCCCCCCC)(=O)=O)CCCCCCC
• InChI: 1S/C16H34O2S2/c1-3-5-7-9-11-13-15-19-20(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
• InChIKey: PGJQBDRKAOQYEB-UHFFFAOYSA-N

Properties

• Density: 0.985g/cm³ (Cal.)
• Boiling point: 445.556°C at 760 mmHg (Cal.)
• Flash point: 223.264°C (Cal.)