Methyl 6-(methylthio)nicotinate
TL;DR: Methyl 6-(methylthio)nicotinate (CAS 74470-40-9) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methylsulfanylpyridine-3-carboxylate
Also Known As: methyl 6-(methylthio)nicotinate, 3-Pyridinecarboxylic acid, 6-(methylthio)-, methyl ester, methyl 6-methylsulfanylpyridine-3-carboxylate, methyl 6-(methylsulfanyl)nicotinate, methyl 6-methylthiopyridine-3-carboxylate
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.5901 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 270.89127 |
Chemical Identifiers
| CAS Number | 74470-40-9 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C=C1)SC |
Product Overview
Methyl 6-(methylthio)nicotinate (CAS 74470-40-9), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: methyl 6-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of Methyl 6-(methylthio)nicotinate
Property Insights of Methyl 6-(methylthio)nicotinate
The XLogP value of 1.5901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-(methylthio)nicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 6-(methylthio)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-(methylthio)nicotinate has 0 hydrogen bond donor(s) and 4 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 6-(methylthio)nicotinate?
The CAS number of Methyl 6-(methylthio)nicotinate is 74470-40-9.
What is the molecular formula of Methyl 6-(methylthio)nicotinate?
The molecular formula of Methyl 6-(methylthio)nicotinate is C8H9NO2S.
What is the molecular weight of Methyl 6-(methylthio)nicotinate?
The molecular weight of Methyl 6-(methylthio)nicotinate is 183.04 g/mol.
Where can I buy Methyl 6-(methylthio)nicotinate?
You can request a quote for Methyl 6-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.