2-(Allylthio)nicotinic acid
2-prop-2-enylsulfanylpyridine-3-carboxylic acid
Also Known As: 2-(allylthio)nicotinic acid|ACMC-20aooc|ML099 Analog|2-(Allylthio)nicotinicacid|Maybridge1_001317|Oprea1_345398|2-(allylsulfanyl)nicotinic acid|3-Pyridinecarboxylic acid, 2-(2-propen-1-ylthio)-|2-prop-2-enylsulfanylpyridine-3-carboxylic acid|HMS545D19|KS-00002BJC|Fr12817|2-(prop-2-en-1-ylsulfanyl)pyridine-3-carboxylic acid|2-allylsulfanylpyridine-3-carboxylic acid|3-Pyridinecarboxylic acid, 2-(2-propenylthio)-|2-prop-2-enylthiopyridine-3-carboxylic acid|J3.185.787B|AI-204/31702064|3-Pyridinecarboxylicacid, 2-(2-propen-1-ylthio)-
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.0354 g/mol |
| LogP | 2.0579 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.0354 |
| Monoisotopic Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 325.14566 |
Chemical Identifiers
| CAS Number | 175135-25-8 |
|---|---|
| SMILES | C=CCSC1=C(C=CC=N1)C(=O)O |
Product Overview
2-(Allylthio)nicotinic acid (CAS 175135-25-8), with molecular formula C9H9NO2S and molecular weight 195.0354 g/mol. IUPAC: 2-prop-2-enylsulfanylpyridine-3-carboxylic acid.