3-(2-Methyl-1-Piperidyl)Propylsulfanyl-Phenyl-Methanone
[CAS# 5435-03-0]

Identification

• Name: 3-(2-Methyl-1-Piperidyl)Propylsulfanyl-Phenyl-Methanone
• Synonyms: S-[3-(2-Methyl-1-Piperidyl)Propyl] Benzenecarbothioate; Benzenecarbothioic Acid S-[3-(2-Methyl-1-Piperidinyl)Propyl] Ester; Thiobenzoic Acid S-[3-(2-Methyl-1-Piperidyl)Propyl] Ester
• Molecular Formula: C₁₆H₂₃NOS
• Molecular Weight: 277.42
• CAS Registry Number: 5435-03-0
• SMILES: C1=CC=CC=C1C(SCCCN2C(CCCC2)C)=O
• InChI: 1S/C16H23NOS/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3
• InChIKey: WWWKIGOKQIQJRK-UHFFFAOYSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 382.886°C at 760 mmHg (Cal.)
• Flash point: 185.363°C (Cal.)