(Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile
TL;DR: (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile (CAS 17823-65-3) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[anilino(methylsulfanyl)methylidene]propanedinitrile
Also Known As: (METHYLTHIO(PHENYLAMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-((methylthio)(phenylamino)methylene)malononitrile, 2-[anilino(methylsulfanyl)methylidene]propanedinitrile, [anilino(methylthio)methylidene]malononitrile, 2-[Anilino(methylthio)methylene]malononitrile
| Molecular Formula | C11H9N3S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 2.72026 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.05171 |
| Heavy Atoms | 15 |
| Complexity | 421.1411 |
Chemical Identifiers
| CAS Number | 17823-65-3 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)NC1=CC=CC=C1 |
Product Overview
(Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile (CAS 17823-65-3), with molecular formula C11H9N3S and molecular weight 215.05 g/mol. IUPAC: 2-[anilino(methylsulfanyl)methylidene]propanedinitrile.
Chemical Property Profile of (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile
Property Insights of (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 2.72026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile. With a topological polar surface area (TPSA) of 59.61 Ų, (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile 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 (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile?
The CAS number of (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile is 17823-65-3.
What is the molecular formula of (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile is C11H9N3S.
What is the molecular weight of (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile is 215.05 g/mol.
Where can I buy (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Methylthio(phenylamino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.