Benzamide, N-(cyano(methylthio)methyl)-p-nitro-
TL;DR: Benzamide, N-(cyano(methylthio)methyl)-p-nitro- (CAS 31666-17-8) is a chemical compound with molecular formula C10H9N3O3S and molecular weight 251.03647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[cyano(methylsulfanyl)methyl]-4-nitrobenzamide
Also Known As: N-(Cyano(methylthio)methyl)-p-nitrobenzamide, N-[cyano(methylsulfanyl)methyl]-4-nitrobenzamide, BENZAMIDE, N-(CYANO(METHYLTHIO)METHYL)-p-NITRO-, N-[Cyano(methylthio)methyl]-p-nitrobenzamide, Methylmercapto-(4-nitro-benzoylamino)-acetonitril
Technical Specifications
| Molecular Formula | C10H9N3O3S |
| Molecular Weight | 251.03647 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.03647 Da |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
| SMILES | CSC(C#N)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | WHRSLRUGPLZANB-UHFFFAOYSA-N |
Chemical Property Profile of Benzamide, N-(cyano(methylthio)methyl)-p-nitro-
Property Insights of Benzamide, N-(cyano(methylthio)methyl)-p-nitro-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-(cyano(methylthio)methyl)-p-nitro-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-(cyano(methylthio)methyl)-p-nitro-. Following Lipinski's Rule of Five, Benzamide, N-(cyano(methylthio)methyl)-p-nitro- 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
What is the CAS number of Benzamide, N-(cyano(methylthio)methyl)-p-nitro-?
The CAS number of Benzamide, N-(cyano(methylthio)methyl)-p-nitro- is 31666-17-8.
What is the molecular formula of Benzamide, N-(cyano(methylthio)methyl)-p-nitro-?
The molecular formula of Benzamide, N-(cyano(methylthio)methyl)-p-nitro- is C10H9N3O3S.
What is the molecular weight of Benzamide, N-(cyano(methylthio)methyl)-p-nitro-?
The molecular weight of Benzamide, N-(cyano(methylthio)methyl)-p-nitro- is 251.03647 g/mol.
Where can I buy Benzamide, N-(cyano(methylthio)methyl)-p-nitro-?
You can request a quote for Benzamide, N-(cyano(methylthio)methyl)-p-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzamide, N-(cyano(methylthio)methyl)-p-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzamide, N-(cyano(methylthio)methyl)-p-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.