2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester (CAS 10354-81-1) is a chemical compound with molecular formula C7H9NO2S2 and molecular weight 203.00748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-3-methylsulfanyl-3-sulfanylprop-2-enoate
Also Known As: BAS 00873077, ethyl 2-cyano-3-methylsulfanyl-3-sulfanylprop-2-enoate, 2-Cyano-3-mercapto-3-methylthioacrylsaeureethylester, 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester, 2-Cyano-3-mercapto-3-methylsulfanyl-acrylic acid ethyl ester
Technical Specifications
| Molecular Formula | C7H9NO2S2 |
| Molecular Weight | 203.00748 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.00748 Da |
| Heavy Atoms | 12 |
| Complexity | 251.0 |
| SMILES | CCOC(=O)C(=C(S)SC)C#N |
| InChIKey | XMNDOEYOBXFILM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester is 10354-81-1.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester is C7H9NO2S2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester is 203.00748 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.