![Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]- structure](/static/products/1525/152588-23-3.webp)
Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-
TL;DR: Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]- (CAS 152588-23-3) is a chemical compound with molecular formula C12H11N3S and molecular weight 229.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile
Also Known As: Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-, 2-benzylamino-2-methylthio-1,1-ethylenedicarbonitrile, 2-[(benzylamino)-methylsulfanylmethylidene]propanedinitrile, 3-benzylamino-3-methylmercapto-2-cyano-acrylonitrile, 3-benzylamino-3-methylsulfanyl-2-cyano-acrylonitrile
Technical Specifications
| Molecular Formula | C12H11N3S |
| Molecular Weight | 229.06737 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.06737 Da |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
| SMILES | CSC(=C(C#N)C#N)NCC1=CC=CC=C1 |
| InChIKey | BEHXDZFQPXYJGA-UHFFFAOYSA-N |
Chemical Property Profile of Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-
Property Insights of Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-. Following Lipinski's Rule of Five, Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]- 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
What is the CAS number of Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-?
The CAS number of Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]- is 152588-23-3.
What is the molecular formula of Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-?
The molecular formula of Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]- is C12H11N3S.
What is the molecular weight of Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-?
The molecular weight of Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]- is 229.06737 g/mol.
Where can I buy Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-?
You can request a quote for Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]-?
Yes, CoreyChem provides custom synthesis services for Propanedinitrile, [(methylthio)[(phenylmethyl)amino]methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.