2-(Butylthio)ethyl nicotinate

Base Information

• Chemical Name: 2-(Butylthio)ethyl nicotinate
• CAS No.: 101952-56-1
• Molecular Formula: C12H17 N O2 S
• Molecular Weight: 239.3339
• DSSTox Substance ID: DTXSID10144409
• Nikkaji Number: J68.292F
• Wikidata: Q83008628
• Mol file: 101952-56-1.mol

Synonyms:2-(Butylthio)ethyl nicotinate;101952-56-1;Nicotinic acid, 2-(butylthio)ethyl ester;BRN 0165034;2-(Butylthio)ethyl=nicotinate;DTXSID10144409;LS-96536

Chemical Property of 2-(Butylthio)ethyl nicotinate

Chemical Property:

• Vapor Pressure: 3.41E-05mmHg at 25°C
• Boiling Point: 354.2°Cat760mmHg
• Flash Point: 168°C
• Density: 1.102g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 239.09799996
• Heavy Atom Count: 16
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSCCOC(=O)C1=CN=CC=C1