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Methyl 2-[(3-pyridylmethyl)thio]acetate
TL;DR: Methyl 2-[(3-pyridylmethyl)thio]acetate (CAS 306935-34-2) 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.
methyl 2-(pyridin-3-ylmethylsulfanyl)acetate
Also Known As: methyl 2-[(3-pyridylmethyl)thio]acetate, Methyl 2-(3-picolylthio)acetate, METHYL2-[ THIO]ACETATE, methyl 2-(pyridin-3-ylmethylsulfanyl)acetate, Acetic acid, 2-[(3-pyridinylmethyl)thio]-, methyl ester
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 1.4878 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 263.57703 |
Chemical Identifiers
| CAS Number | 306935-34-2 |
|---|---|
| SMILES | COC(=O)CSCC1=CN=CC=C1 |
Product Overview
Methyl 2-[(3-pyridylmethyl)thio]acetate (CAS 306935-34-2), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: methyl 2-(pyridin-3-ylmethylsulfanyl)acetate.
Chemical Property Profile of Methyl 2-[(3-pyridylmethyl)thio]acetate
Property Insights of Methyl 2-[(3-pyridylmethyl)thio]acetate
The XLogP value of 1.4878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(3-pyridylmethyl)thio]acetate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 2-[(3-pyridylmethyl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(3-pyridylmethyl)thio]acetate 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 2-[(3-pyridylmethyl)thio]acetate?
The CAS number of Methyl 2-[(3-pyridylmethyl)thio]acetate is 306935-34-2.
What is the molecular formula of Methyl 2-[(3-pyridylmethyl)thio]acetate?
The molecular formula of Methyl 2-[(3-pyridylmethyl)thio]acetate is C9H11NO2S.
What is the molecular weight of Methyl 2-[(3-pyridylmethyl)thio]acetate?
The molecular weight of Methyl 2-[(3-pyridylmethyl)thio]acetate is 197.05 g/mol.
Where can I buy Methyl 2-[(3-pyridylmethyl)thio]acetate?
You can request a quote for Methyl 2-[(3-pyridylmethyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(3-pyridylmethyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-pyridylmethyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.