2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid
TL;DR: 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid (CAS 128012-44-2) is a chemical compound with molecular formula C6H7NO2S2 and molecular weight 188.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic acid
Also Known As: 2-cyano-3,3-bis(methylthio)acrylic acid, 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid, XPEPYRAFQCAOPI-UHFFFAOYSA-, 2-Propenoic acid, 2-cyano-3,3-bis(methylthio)-, 2-cyano-3,3-bis(methylthio)acrylicacid
| Molecular Formula | C6H7NO2S2 |
|---|---|
| Molecular Weight | 188.99 g/mol |
| LogP | 1.53218 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.99182 |
| Heavy Atoms | 11 |
| Complexity | 223.227 |
Chemical Identifiers
| CAS Number | 128012-44-2 |
|---|---|
| SMILES | CSC(=C(C#N)C(=O)O)SC |
Product Overview
2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid (CAS 128012-44-2), with molecular formula C6H7NO2S2 and molecular weight 188.99 g/mol. IUPAC: 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid
Property Insights of 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid
The XLogP value of 1.53218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid. Following Lipinski's Rule of Five, 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid has 1 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-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid?
The CAS number of 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid is 128012-44-2.
What is the molecular formula of 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid?
The molecular formula of 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid is C6H7NO2S2.
What is the molecular weight of 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid?
The molecular weight of 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid is 188.99 g/mol.
Where can I buy 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid?
You can request a quote for 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.