![[(2-Cyanoethyl)thio]acetic acid, ethyl ester structure](/static/products/5805/58051-22-2.webp)
[(2-Cyanoethyl)thio]acetic acid, ethyl ester
TL;DR: [(2-Cyanoethyl)thio]acetic acid, ethyl ester (CAS 58051-22-2) is a chemical compound with molecular formula C7H11NO2S and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-cyanoethylsulfanyl)acetate
Also Known As: ethyl[(2-cyanoethyl)sulfanyl]acetate, ethyl 2-((2-cyanoethyl)thio)acetate, Ethyl [(2-cyanoethyl)sulfanyl]acetate, ethyl 2-(2-cyanoethylsulfanyl)acetate, 1-Cyanoethyl-thioessigsaeure-ethylester
| Molecular Formula | C7H11NO2S |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 173.05106 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 58051-22-2 |
|---|---|
| SMILES | CCOC(=O)CSCCC#N |
| InChIKey | HGDQWBAREHCJCE-UHFFFAOYSA-N |
Product Overview
[(2-Cyanoethyl)thio]acetic acid, ethyl ester (CAS 58051-22-2), with molecular formula C7H11NO2S and molecular weight 173.05 g/mol. IUPAC: ethyl 2-(2-cyanoethylsulfanyl)acetate.
Chemical Property Profile of [(2-Cyanoethyl)thio]acetic acid, ethyl ester
Property Insights of [(2-Cyanoethyl)thio]acetic acid, ethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Cyanoethyl)thio]acetic acid, ethyl ester. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Cyanoethyl)thio]acetic acid, ethyl ester. Following Lipinski's Rule of Five, [(2-Cyanoethyl)thio]acetic acid, ethyl ester 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 [(2-Cyanoethyl)thio]acetic acid, ethyl ester?
The CAS number of [(2-Cyanoethyl)thio]acetic acid, ethyl ester is 58051-22-2.
What is the molecular formula of [(2-Cyanoethyl)thio]acetic acid, ethyl ester?
The molecular formula of [(2-Cyanoethyl)thio]acetic acid, ethyl ester is C7H11NO2S.
What is the molecular weight of [(2-Cyanoethyl)thio]acetic acid, ethyl ester?
The molecular weight of [(2-Cyanoethyl)thio]acetic acid, ethyl ester is 173.05 g/mol.
Where can I buy [(2-Cyanoethyl)thio]acetic acid, ethyl ester?
You can request a quote for [(2-Cyanoethyl)thio]acetic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Cyanoethyl)thio]acetic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for [(2-Cyanoethyl)thio]acetic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.