![2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile structure](/static/products/4443/444309-53-9.webp)
2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile
TL;DR: 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile (CAS 444309-53-9) is a chemical compound with molecular formula C11H10N4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methylsulfanyl-(pyridin-3-ylmethylamino)methylidene]propanedinitrile
Also Known As: 2-{(methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile, 2-[(methylsulfanyl)({[(pyridin-3-yl)methyl]amino})methylidene]propanedinitrile, 2-[methylsulfanyl-(pyridin-3-ylmethylamino)methylidene]propanedinitrile, 2-[methylsulfanyl-(3-pyridylmethylamino)methylene]propanedinitrile
| Molecular Formula | C11H10N4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.79296 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.06262 |
| Heavy Atoms | 16 |
| Complexity | 437.11316 |
Chemical Identifiers
| CAS Number | 444309-53-9 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)NCC1=CN=CC=C1 |
Product Overview
2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile (CAS 444309-53-9), with molecular formula C11H10N4S and molecular weight 230.06 g/mol. IUPAC: 2-[methylsulfanyl-(pyridin-3-ylmethylamino)methylidene]propanedinitrile.
Chemical Property Profile of 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile
Property Insights of 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile
The XLogP value of 1.79296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile. Following Lipinski's Rule of Five, 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]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-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile?
The CAS number of 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile is 444309-53-9.
What is the molecular formula of 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile?
The molecular formula of 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile is C11H10N4S.
What is the molecular weight of 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile?
The molecular weight of 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile is 230.06 g/mol.
Where can I buy 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile?
You can request a quote for 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]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-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{(Methylsulfanyl)[(3-pyridinylmethyl)amino]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.