![Methyl 2-[(cyanomethyl)thio]acetate structure](/static/products/5206/52069-53-1.webp)
Methyl 2-[(cyanomethyl)thio]acetate
TL;DR: Methyl 2-[(cyanomethyl)thio]acetate (CAS 52069-53-1) is a chemical compound with molecular formula C5H7NO2S and molecular weight 145.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(cyanomethylsulfanyl)acetate
Also Known As: methyl 2-[(cyanomethyl)thio]acetate, methyl 2-(cyanomethylsulfanyl)acetate, METHYL2-[(CYANOMETHYL)THIO]ACETATE, methyl 2-((cyanomethyl)thio)acetate, Methyl [(cyanomethyl)sulfanyl]acetate
| Molecular Formula | C5H7NO2S |
|---|---|
| Molecular Weight | 145.02 g/mol |
| LogP | 0.41618 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.01974 |
| Heavy Atoms | 9 |
| Complexity | 129.40991 |
Chemical Identifiers
| CAS Number | 52069-53-1 |
|---|---|
| SMILES | COC(=O)CSCC#N |
Product Overview
Methyl 2-[(cyanomethyl)thio]acetate (CAS 52069-53-1), with molecular formula C5H7NO2S and molecular weight 145.02 g/mol. IUPAC: methyl 2-(cyanomethylsulfanyl)acetate.
Chemical Property Profile of Methyl 2-[(cyanomethyl)thio]acetate
Property Insights of Methyl 2-[(cyanomethyl)thio]acetate
The XLogP value of 0.41618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(cyanomethyl)thio]acetate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-[(cyanomethyl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(cyanomethyl)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-[(cyanomethyl)thio]acetate?
The CAS number of Methyl 2-[(cyanomethyl)thio]acetate is 52069-53-1.
What is the molecular formula of Methyl 2-[(cyanomethyl)thio]acetate?
The molecular formula of Methyl 2-[(cyanomethyl)thio]acetate is C5H7NO2S.
What is the molecular weight of Methyl 2-[(cyanomethyl)thio]acetate?
The molecular weight of Methyl 2-[(cyanomethyl)thio]acetate is 145.02 g/mol.
Where can I buy Methyl 2-[(cyanomethyl)thio]acetate?
You can request a quote for Methyl 2-[(cyanomethyl)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-[(cyanomethyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(cyanomethyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.