Methyl 2-sulfanylisonicotinate
TL;DR: Methyl 2-sulfanylisonicotinate (CAS 74470-33-0) 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-4-carboxylate
Also Known As: methyl 2-sulfanylisonicotinate, Methyl 2-sulfanylidene-1H-pyridine-4-carboxylate, Methyl 2-thioxo-1,2-dihydropyridine-4-carboxylate, methyl 2-sulfanylpyridine-4-carboxylate, L-2211
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 1.53079 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 318.21664 |
Chemical Identifiers
| CAS Number | 74470-33-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=S)NC=C1 |
Product Overview
Methyl 2-sulfanylisonicotinate (CAS 74470-33-0), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: methyl 2-sulfanylidene-1H-pyridine-4-carboxylate.
Chemical Property Profile of Methyl 2-sulfanylisonicotinate
Property Insights of Methyl 2-sulfanylisonicotinate
The XLogP value of 1.53079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-sulfanylisonicotinate. With a topological polar surface area (TPSA) of 42.09 Ų, Methyl 2-sulfanylisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-sulfanylisonicotinate 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-sulfanylisonicotinate?
The CAS number of Methyl 2-sulfanylisonicotinate is 74470-33-0.
What is the molecular formula of Methyl 2-sulfanylisonicotinate?
The molecular formula of Methyl 2-sulfanylisonicotinate is C7H7NO2S.
What is the molecular weight of Methyl 2-sulfanylisonicotinate?
The molecular weight of Methyl 2-sulfanylisonicotinate is 169.02 g/mol.
Where can I buy Methyl 2-sulfanylisonicotinate?
You can request a quote for Methyl 2-sulfanylisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-sulfanylisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-sulfanylisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.