Carbonodithioic Acid O-Butyl S-(Phenylmethyl) Ester
[CAS# 5902-92-1]

Identification

• Name: Carbonodithioic Acid O-Butyl S-(Phenylmethyl) Ester
• Synonyms: (Phenylmethylthio)Methanethioic Acid O-Butyl Ester; (Benzylthio)Methanethioic Acid O-Butyl Ester; Ai3-27190
• Molecular Formula: C₁₂H₁₆OS₂
• Molecular Weight: 240.38
• CAS Registry Number: 5902-92-1
• SMILES: C1=C(CSC(OCCCC)=S)C=CC=C1
• InChI: 1S/C12H16OS2/c1-2-3-9-13-12(14)15-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
• InChIKey: XJXMGBCUWITJAQ-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 342.226°C at 760 mmHg (Cal.)
• Flash point: 160.773°C (Cal.)