2-(Pentylthio)Ethyl Nicotinate
[CAS# 101952-69-6]

Identification

• Name: 2-(Pentylthio)Ethyl Nicotinate
• Synonyms: 3-Pyridinecarboxylic Acid 2-(Pentylthio)Ethyl Ester; Nicotinic Acid 2-(Amylthio)Ethyl Ester; 2-(Pentylthio)Ethyl Nicotinate
• Molecular Formula: C₁₃H₁₉NO₂S
• Molecular Weight: 253.36
• CAS Registry Number: 101952-69-6
• SMILES: C1=CC=NC=C1C(OCCSCCCCC)=O
• InChI: 1S/C13H19NO2S/c1-2-3-4-9-17-10-8-16-13(15)12-6-5-7-14-11-12/h5-7,11H,2-4,8-10H2,1H3
• InChIKey: PFLAIDJOORTPCT-UHFFFAOYSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Boiling point: 368.335°C at 760 mmHg (Cal.)
• Flash point: 176.563°C (Cal.)