4-Methylbenzenesulfonothioic Acid S-Hexyl Ester
[CAS# 28519-32-6]

Identification

• Name: 4-Methylbenzenesulfonothioic Acid S-Hexyl Ester
• Synonyms: 1-Hexylsulfanylsulfonyl-4-Methyl-Benzene; 1-(Hexylthio)Sulfonyl-4-Methylbenzene; 1-(Hexylthio)Sulfonyl-4-Methyl-Benzene
• Molecular Formula: C₁₃H₂₀O₂S₂
• Molecular Weight: 272.42
• CAS Registry Number: 28519-32-6
• SMILES: C1=C([S](=O)(=O)SCCCCCC)C=CC(=C1)C
• InChI: 1S/C13H20O2S2/c1-3-4-5-6-11-16-17(14,15)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
• InChIKey: YCOCBHPNOONOQR-UHFFFAOYSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 392.388°C at 760 mmHg (Cal.)
• Flash point: 191.11°C (Cal.)