Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate
TL;DR: Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate (CAS 121635-47-0) is a chemical compound with molecular formula C8H11NO2S2 and molecular weight 217.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate
Also Known As: 2-Cyano-3-(ethylthio-3-methylthio)-2-propenoic acid methyl ester
| Molecular Formula | C8H11NO2S2 |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.02312 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 121635-47-0 |
|---|---|
| SMILES | CCSC(=C(C#N)C(=O)OC)SC |
| InChIKey | VQFTWIHXIAXAMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate (CAS 121635-47-0), with molecular formula C8H11NO2S2 and molecular weight 217.02 g/mol. IUPAC: methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate
Property Insights of Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate has 0 hydrogen bond donor(s) and 5 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-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate?
The CAS number of Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate is 121635-47-0.
What is the molecular formula of Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate?
The molecular formula of Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate is C8H11NO2S2.
What is the molecular weight of Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate?
The molecular weight of Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate is 217.02 g/mol.
Where can I buy Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate?
You can request a quote for Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-ethylsulfanyl-3-methylsulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.