4-Methylbenzenesulfonothioic Acid S-Hexadecyl Ester
[CAS# 7559-54-8]

Identification

• Name: 4-Methylbenzenesulfonothioic Acid S-Hexadecyl Ester
• Synonyms: 1-Hexadecylsulfanylsulfonyl-4-Methyl-Benzene; 1-(Hexadecylthio)Sulfonyl-4-Methylbenzene; 1-(Cetylthio)Sulfonyl-4-Methyl-Benzene
• Molecular Formula: C₂₃H₄₀O₂S₂
• Molecular Weight: 412.69
• CAS Registry Number: 7559-54-8
• SMILES: C1=C([S](=O)(=O)SCCCCCCCCCCCCCCCC)C=CC(=C1)C
• InChI: 1S/C23H40O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-27(24,25)23-19-17-22(2)18-20-23/h17-20H,3-16,21H2,1-2H3
• InChIKey: ZKVMVNHORMSSSC-UHFFFAOYSA-N

Properties

• Density: 1.009g/cm³ (Cal.)
• Boiling point: 518.534°C at 760 mmHg (Cal.)
• Flash point: 267.4°C (Cal.)