烟酸-2-(甲硫基)乙酯
TL;DR: 烟酸-2-(甲硫基)乙酯 (CAS 101952-67-4) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸-2-(甲硫基)乙酯
2-methylsulfanylethyl pyridine-3-carboxylate
Also Known As: 2-(Methylthio)ethyl nicotinate, 2-methylsulfanylethyl pyridine-3-carboxylate, 2-(Methylthio)ethyl=nicotinate, NICOTINIC ACID, 2-(METHYLTHIO)ETHYL ESTER, 2-methylsulfanylethylpyridine-3-carboxylate
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 101952-67-4 |
|---|---|
| SMILES | CSCCOC(=O)C1=CN=CC=C1 |
| InChIKey | RBIKYSUIHYRVQL-UHFFFAOYSA-N |
Product Overview
烟酸-2-(甲硫基)乙酯 (CAS 101952-67-4), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: 2-methylsulfanylethyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸-2-(甲硫基)乙酯
Property Insights of 烟酸-2-(甲硫基)乙酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟酸-2-(甲硫基)乙酯. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 烟酸-2-(甲硫基)乙酯. Following Lipinski's Rule of Five, 烟酸-2-(甲硫基)乙酯 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 烟酸-2-(甲硫基)乙酯?
The CAS number of 烟酸-2-(甲硫基)乙酯 is 101952-67-4.
What is the molecular formula of 烟酸-2-(甲硫基)乙酯?
The molecular formula of 烟酸-2-(甲硫基)乙酯 is C9H11NO2S.
What is the molecular weight of 烟酸-2-(甲硫基)乙酯?
The molecular weight of 烟酸-2-(甲硫基)乙酯 is 197.05 g/mol.
Where can I buy 烟酸-2-(甲硫基)乙酯?
You can request a quote for 烟酸-2-(甲硫基)乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸-2-(甲硫基)乙酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸-2-(甲硫基)乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.