N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline
TL;DR: N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline (CAS 5440-68-6) is a chemical compound with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline
Also Known As: 2-(p-Nitrobenzyl)-2-nitropropane, N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline, Propanal, 2-(methylthio)-,2-(2,4-dinitrophenyl)hydrazone, 1-(2,4-Dinitrophenyl)-2-[2-(methylsulfanyl)propylidene]hydrazine, N-(2-METHYLSULFANYLPROPYLIDENEAMINO)-2,4-DINITRO-ANILINE
| Molecular Formula | C10H12N4O4S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.05792 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 5440-68-6 |
|---|---|
| SMILES | CC(C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])SC |
| InChIKey | MDTLCKSUWLYASZ-UHFFFAOYSA-N |
Product Overview
N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline (CAS 5440-68-6), with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol. IUPAC: N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline.
Chemical Property Profile of N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline
Property Insights of N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline. The TPSA of 141.0 Ų indicates high polarity, suggesting N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 7 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 N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline?
The CAS number of N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline is 5440-68-6.
What is the molecular formula of N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline?
The molecular formula of N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline is C10H12N4O4S.
What is the molecular weight of N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline?
The molecular weight of N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline is 284.06 g/mol.
Where can I buy N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline?
You can request a quote for N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.