6-(Methylthio)-2-pyridinecarboxylic Acid - CAS 74470-26-1
Catalog: |
BB056628 |
Product Name: |
6-(Methylthio)-2-pyridinecarboxylic Acid |
CAS: |
74470-26-1 |
Synonyms: |
2-Pyridinecarboxylic acid, 6-(methylthio)-; 6-methylsulfanylpyridine-2-carboxylic Acid; 6-(Methylthio)picolinic acid; 6-(methylsulfanyl)pyridine-2-carboxylic acid; 6-(Methylthio)picolinicacid |
IUPAC Name: | 6-methylsulfanylpyridine-2-carboxylic acid |
Description: | 6-(Methylthio)-2-pyridinecarboxylic Acid is a useful reagent in the electrochemical reduction study of 6-mercapto-2-pyridinecarboxylic acid derivatives. |
Molecular Weight: | 169.2 |
Molecular Formula: | C7H7NO2S |
Canonical SMILES: | CSC1=CC=CC(=N1)C(=O)O |
InChI: | InChI=1S/C7H7NO2S/c1-11-6-4-2-3-5(8-6)7(9)10/h2-4H,1H3,(H,9,10) |
InChI Key: | KDCZJBIMHDPTJP-UHFFFAOYSA-N |
References: | Lejeune, R., et al. J. Pharm. Belgiq., 38, 200 (1983). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.01974964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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