Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate
TL;DR: Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate (CAS 74470-32-9) 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.
methyl 2-sulfanylidene-1H-pyridine-3-carboxylate
Also Known As: Methyl 2-Mercaptonicotinate, methyl 2-sulfanylnicotinate, 2-Mercapto-nicotinic acid methyl ester, methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate, methyl 2-sulfanylidene-1H-pyridine-3-carboxylate
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 74470-32-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CNC1=S |
| InChIKey | BQQXUGGTSVMBLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate (CAS 74470-32-9), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: methyl 2-sulfanylidene-1H-pyridine-3-carboxylate.
Chemical Property Profile of Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate
Property Insights of Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate 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 Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate?
The CAS number of Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate is 74470-32-9.
What is the molecular formula of Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate?
The molecular formula of Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate is C7H7NO2S.
What is the molecular weight of Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate?
The molecular weight of Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate is 169.02 g/mol.
Where can I buy Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate?
You can request a quote for Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-sulfanylidene-1,2-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.