4-Methylbenzenesulfonothioic Acid S-Octyl Ester
[CAS# 7559-53-7]

Identification

• Name: 4-Methylbenzenesulfonothioic Acid S-Octyl Ester
• Synonyms: 1-Methyl-4-Octylsulfanylsulfonyl-Benzene; 1-Methyl-4-(Octylthio)Sulfonylbenzene; 1-Methyl-4-(Octylthio)Sulfonyl-Benzene
• Molecular Formula: C₁₅H₂₄O₂S₂
• Molecular Weight: 300.47
• CAS Registry Number: 7559-53-7
• SMILES: C1=C([S](=O)(=O)SCCCCCCCC)C=CC(=C1)C
• InChI: 1S/C15H24O2S2/c1-3-4-5-6-7-8-13-18-19(16,17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
• InChIKey: UMHCNSKVYCPQDB-UHFFFAOYSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Boiling point: 418.843°C at 760 mmHg (Cal.)
• Flash point: 207.109°C (Cal.)