3-(2-Acetylthiomethylpropionamido)picolinic acid

Base Information

• Chemical Name: 3-(2-Acetylthiomethylpropionamido)picolinic acid
• CAS No.: 100637-33-0
• Molecular Formula: C12H14 N2 O4 S
• Molecular Weight: 282.3156
• DSSTox Substance ID: DTXSID90905636
• Mol file: 100637-33-0.mol

Synonyms:100637-33-0;3-(2-Acetylthiomethylpropionamido)picolinic acid;2-Pyridinecarboxylic acid, 3-((3-(acetylthio)-2-methyl-1-oxopropyl)amino)-;3-((3-(Acetylthio)-2-methyl-1-oxopropyl)amino)-2-pyridinecarboxylic acid;SCHEMBL10934842;DTXSID90905636;LS-130700;3-{[3-(Acetylsulfanyl)-1-hydroxy-2-methylpropylidene]amino}pyridine-2-carboxylic acid

Chemical Property of 3-(2-Acetylthiomethylpropionamido)picolinic acid

Chemical Property:

• Vapor Pressure: 6.69E-12mmHg at 25°C
• Boiling Point: 526.2°C at 760 mmHg
• Flash Point: 272°C
• Density: 1.372g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 282.06742811
• Heavy Atom Count: 19
• Complexity: 362

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CSC(=O)C)C(=O)NC1=C(N=CC=C1)C(=O)O