2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile
TL;DR: 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile (CAS 205452-97-7) is a chemical compound with molecular formula C10H8N4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methylsulfanyl-(pyridin-3-ylamino)methylidene]propanedinitrile
Also Known As: 2-cyano-3-methylmercapto-3-(pyridin-3-ylamino)-acrylonitrile, 2-[methylsulfanyl-(pyridin-3-ylamino)methylidene]propanedinitrile, 2-((methylthio)(pyridin-3-ylamino)methylene)malononitrile, 2-cyano-3-methylmercapto-3-(3-pyridylamino)-acrylonitrile
| Molecular Formula | C10H8N4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.11526 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.04697 |
| Heavy Atoms | 15 |
| Complexity | 422.73047 |
Chemical Identifiers
| CAS Number | 205452-97-7 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)NC1=CN=CC=C1 |
Product Overview
2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile (CAS 205452-97-7), with molecular formula C10H8N4S and molecular weight 216.05 g/mol. IUPAC: 2-[methylsulfanyl-(pyridin-3-ylamino)methylidene]propanedinitrile.
Chemical Property Profile of 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile
Property Insights of 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile
The XLogP value of 2.11526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile. Following Lipinski's Rule of Five, 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile 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
Frequently Asked Questions
What is the CAS number of 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile?
The CAS number of 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile is 205452-97-7.
What is the molecular formula of 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile?
The molecular formula of 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile is C10H8N4S.
What is the molecular weight of 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile?
The molecular weight of 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile is 216.05 g/mol.
Where can I buy 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile?
You can request a quote for 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((Methylthio)(pyridin-3-ylamino)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.