2-Nitro-5-(propylthio)aniline
TL;DR: 2-Nitro-5-(propylthio)aniline (CAS 57780-75-3) 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-5-propylsulfanylaniline
Also Known As: 2-nitro-5-(propylthio)aniline, [2-Nitro-5-(propylthio)phenyl]amine, 2-nitro-5-propylsulfanylaniline, 2-nitro-5-(propylsulfanyl)aniline, Benzenamine, 2-nitro-5-(propylthio)-
| Molecular Formula | C9H12N2O2S |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06195 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 57780-75-3 |
|---|---|
| SMILES | CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N |
| InChIKey | NLCPQMUVBQILMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-5-(propylthio)aniline (CAS 57780-75-3), with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol. IUPAC: 2-nitro-5-propylsulfanylaniline.
Chemical Property Profile of 2-Nitro-5-(propylthio)aniline
Property Insights of 2-Nitro-5-(propylthio)aniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-5-(propylthio)aniline. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-5-(propylthio)aniline. Following Lipinski's Rule of Five, 2-Nitro-5-(propylthio)aniline 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 2-Nitro-5-(propylthio)aniline?
The CAS number of 2-Nitro-5-(propylthio)aniline is 57780-75-3.
What is the molecular formula of 2-Nitro-5-(propylthio)aniline?
The molecular formula of 2-Nitro-5-(propylthio)aniline is C9H12N2O2S.
What is the molecular weight of 2-Nitro-5-(propylthio)aniline?
The molecular weight of 2-Nitro-5-(propylthio)aniline is 212.06 g/mol.
Where can I buy 2-Nitro-5-(propylthio)aniline?
You can request a quote for 2-Nitro-5-(propylthio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-5-(propylthio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-5-(propylthio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.