2-Cyano-3,3-bis(methylthio)acrylamide
TL;DR: 2-Cyano-3,3-bis(methylthio)acrylamide (CAS 17823-69-7) is a chemical compound with molecular formula C6H8N2OS2 and molecular weight 188.01 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-enamide
Also Known As: 2-cyano-3,3-bis(methylthio)acrylamide, 2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide, 2-Propenamide, 2-cyano-3,3-bis(methylthio)-, 3,3-bis(methylthio)-2-cyanoacrylamide, bis(methythio)methylenecyanoacetamide
| Molecular Formula | C6H8N2OS2 |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 0.93288 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.00781 |
| Heavy Atoms | 11 |
| Complexity | 223.227 |
Chemical Identifiers
| CAS Number | 17823-69-7 |
|---|---|
| SMILES | CSC(=C(C#N)C(=O)N)SC |
Product Overview
2-Cyano-3,3-bis(methylthio)acrylamide (CAS 17823-69-7), with molecular formula C6H8N2OS2 and molecular weight 188.01 g/mol. IUPAC: 2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide.
Chemical Property Profile of 2-Cyano-3,3-bis(methylthio)acrylamide
Property Insights of 2-Cyano-3,3-bis(methylthio)acrylamide
The XLogP value of 0.93288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3,3-bis(methylthio)acrylamide. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3,3-bis(methylthio)acrylamide. Following Lipinski's Rule of Five, 2-Cyano-3,3-bis(methylthio)acrylamide 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(methylthio)acrylamide?
The CAS number of 2-Cyano-3,3-bis(methylthio)acrylamide is 17823-69-7.
What is the molecular formula of 2-Cyano-3,3-bis(methylthio)acrylamide?
The molecular formula of 2-Cyano-3,3-bis(methylthio)acrylamide is C6H8N2OS2.
What is the molecular weight of 2-Cyano-3,3-bis(methylthio)acrylamide?
The molecular weight of 2-Cyano-3,3-bis(methylthio)acrylamide is 188.01 g/mol.
Where can I buy 2-Cyano-3,3-bis(methylthio)acrylamide?
You can request a quote for 2-Cyano-3,3-bis(methylthio)acrylamide 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(methylthio)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3,3-bis(methylthio)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.