2-Propenenitrile, 2-chloro-3-(methylthio)-
TL;DR: 2-Propenenitrile, 2-chloro-3-(methylthio)- (CAS 127729-12-8) is a chemical compound with molecular formula C4H4ClNS and molecular weight 132.9753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-chloro-3-methylsulfanylprop-2-enenitrile
Also Known As: 2-Chloro-3-(methylthio)-2-propenenitrile, 2-Propenenitrile, 2-chloro-3-(methylthio)-, (Z)-2-chloro-3-methylsulfanylprop-2-enenitrile, 4-Benzyloxy-2-hydroxy-3-iodo-6-methyl-benzoic acid methyl ester
Technical Specifications
| Molecular Formula | C4H4ClNS |
| Molecular Weight | 132.9753 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.9753 Da |
| Heavy Atoms | 7 |
| Complexity | 121.0 |
| SMILES | CS/C=C(/C#N)\Cl |
| InChIKey | MMKRMVVQJFFOEP-ARJAWSKDSA-N |
Chemical Property Profile of 2-Propenenitrile, 2-chloro-3-(methylthio)-
Property Insights of 2-Propenenitrile, 2-chloro-3-(methylthio)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 2-chloro-3-(methylthio)-. With a topological polar surface area (TPSA) of 49.1 Ų, 2-Propenenitrile, 2-chloro-3-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenenitrile, 2-chloro-3-(methylthio)- has 0 hydrogen bond donor(s) and 2 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-Propenenitrile, 2-chloro-3-(methylthio)-?
The CAS number of 2-Propenenitrile, 2-chloro-3-(methylthio)- is 127729-12-8.
What is the molecular formula of 2-Propenenitrile, 2-chloro-3-(methylthio)-?
The molecular formula of 2-Propenenitrile, 2-chloro-3-(methylthio)- is C4H4ClNS.
What is the molecular weight of 2-Propenenitrile, 2-chloro-3-(methylthio)-?
The molecular weight of 2-Propenenitrile, 2-chloro-3-(methylthio)- is 132.9753 g/mol.
Where can I buy 2-Propenenitrile, 2-chloro-3-(methylthio)-?
You can request a quote for 2-Propenenitrile, 2-chloro-3-(methylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenenitrile, 2-chloro-3-(methylthio)-?
Yes, CoreyChem provides custom synthesis services for 2-Propenenitrile, 2-chloro-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.