3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-
TL;DR: 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo- (CAS 74450-98-9) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-sulfanylidenepyridine-3-carboxylic acid
Also Known As: 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-, 1-methyl-2-sulfanylidenepyridine-3-carboxylic acid, 1-methyl-2-sulfanylpyridinium-3-carboxylate, 1-methyl-2-sulfanylpyridine-3-carboxylic acid, 1-methyl-2-thioxo-pyridine-3-carboxylic acid
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 74450-98-9 |
|---|---|
| SMILES | CN1C=CC=C(C1=S)C(=O)O |
| InChIKey | MMZRSAPLZXXNLI-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo- (CAS 74450-98-9), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: 1-methyl-2-sulfanylidenepyridine-3-carboxylic acid.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-
Property Insights of 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-?
The CAS number of 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo- is 74450-98-9.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-?
The molecular formula of 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo- is C7H7NO2S.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-?
The molecular weight of 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo- is 169.02 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-?
You can request a quote for 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,2-dihydro-1-methyl-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.