3-Pyridinecarboxylic acid, 4-mercapto-, methyl ester

Base Information

• Chemical Name: 3-Pyridinecarboxylic acid, 4-mercapto-, methyl ester
• CAS No.: 74470-38-5
• Molecular Formula: C₇H₇NO₂S
• Molecular Weight: 169.204
• European Community (EC) Number: 853-336-2

Synonyms:74470-38-5;3-Pyridinecarboxylic acid, 4-mercapto-, methyl ester;methyl 4-sulfanylidene-1H-pyridine-3-carboxylate;methyl 4-sulfanylpyridine-3-carboxylate;EN300-366119

Chemical Property of 3-Pyridinecarboxylic acid, 4-mercapto-, methyl ester

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 169.01974964
• Heavy Atom Count: 11
• Complexity: 255

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CNC=CC1=S

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