4-Propylthio-2-nitroaniline
TL;DR: 4-Propylthio-2-nitroaniline (CAS 54393-89-4) is a chemical compound with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-propylsulfanylaniline
Also Known As: 2-Nitro-4-(propylthio)aniline, 2-nitro-4-(propylsulfanyl)aniline, 2-nitro-4-propylsulfanylaniline, 2-Nitro-4- aniline, Albendazole impurity 35
| Molecular Formula | C9H12N2O2S |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.6791 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06195 |
| Heavy Atoms | 14 |
| Complexity | 341.5839 |
Chemical Identifiers
| CAS Number | 54393-89-4 |
|---|---|
| SMILES | CCCSC1=CC(=C(C=C1)N)[N+](=O)[O-] |
Product Overview
4-Propylthio-2-nitroaniline (CAS 54393-89-4), with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol. IUPAC: 2-nitro-4-propylsulfanylaniline.
Chemical Property Profile of 4-Propylthio-2-nitroaniline
Property Insights of 4-Propylthio-2-nitroaniline
The XLogP value of 2.6791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Propylthio-2-nitroaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Propylthio-2-nitroaniline. Following Lipinski's Rule of Five, 4-Propylthio-2-nitroaniline 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 4-Propylthio-2-nitroaniline?
The CAS number of 4-Propylthio-2-nitroaniline is 54393-89-4.
What is the molecular formula of 4-Propylthio-2-nitroaniline?
The molecular formula of 4-Propylthio-2-nitroaniline is C9H12N2O2S.
What is the molecular weight of 4-Propylthio-2-nitroaniline?
The molecular weight of 4-Propylthio-2-nitroaniline is 212.06 g/mol.
Where can I buy 4-Propylthio-2-nitroaniline?
You can request a quote for 4-Propylthio-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propylthio-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Propylthio-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.