Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI)
TL;DR: Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI) (CAS 147032-26-6) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-sulfanylidene-1H-pyrazine-3-carboxylate
Also Known As: methyl 5-sulfanylpyrazine-2-carboxylate, 5-Mercaptopyrazine-2-carboxylic acid methyl ester, methyl 6-sulfanylidene-1H-pyrazine-3-carboxylate, Methyl 5-sulfanylidene-4H-pyrazine-2-carboxylate, Methyl 5-thioxo-4,5-dihydropyrazine-2-carboxylate
Technical Specifications
| Molecular Formula | C6H6N2O2S |
| Molecular Weight | 170.015 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.015 Da |
| Heavy Atoms | 11 |
| Complexity | 257.0 |
| SMILES | COC(=O)C1=CNC(=S)C=N1 |
| InChIKey | GNLFJDDHMSUFDA-UHFFFAOYSA-N |
Chemical Property Profile of Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI)
Property Insights of Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI)
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI). The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI). Following Lipinski's Rule of Five, Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI)?
The CAS number of Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI) is 147032-26-6.
What is the molecular formula of Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI)?
The molecular formula of Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI) is C6H6N2O2S.
What is the molecular weight of Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI)?
The molecular weight of Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI) is 170.015 g/mol.
Where can I buy Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI)?
You can request a quote for Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI)?
Yes, CoreyChem provides custom synthesis services for Pyrazinecarboxylic acid, 4,5-dihydro-5-thioxo-, methyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.