3-Nitro-5-(phenylsulfanyl)aniline
TL;DR: 3-Nitro-5-(phenylsulfanyl)aniline (CAS 208038-89-5) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-5-phenylsulfanylaniline
Also Known As: 3-nitro-5-(phenylsulfanyl)aniline, 3-nitro-5-phenylsulfanylaniline, Benzenamine,3-nitro-5-(phenylthio)-, 3-nitro-5-(phenylthio)benzenamine, 3-nitro-5-phenylthiophenylamine
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 208038-89-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])N |
| InChIKey | JYUWIOFDMMGBQI-UHFFFAOYSA-N |
Product Overview
3-Nitro-5-(phenylsulfanyl)aniline (CAS 208038-89-5), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 3-nitro-5-phenylsulfanylaniline.
Chemical Property Profile of 3-Nitro-5-(phenylsulfanyl)aniline
Property Insights of 3-Nitro-5-(phenylsulfanyl)aniline
The XLogP value of 3.1 indicates that 3-Nitro-5-(phenylsulfanyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-5-(phenylsulfanyl)aniline. Following Lipinski's Rule of Five, 3-Nitro-5-(phenylsulfanyl)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 3-Nitro-5-(phenylsulfanyl)aniline?
The CAS number of 3-Nitro-5-(phenylsulfanyl)aniline is 208038-89-5.
What is the molecular formula of 3-Nitro-5-(phenylsulfanyl)aniline?
The molecular formula of 3-Nitro-5-(phenylsulfanyl)aniline is C12H10N2O2S.
What is the molecular weight of 3-Nitro-5-(phenylsulfanyl)aniline?
The molecular weight of 3-Nitro-5-(phenylsulfanyl)aniline is 246.05 g/mol.
Where can I buy 3-Nitro-5-(phenylsulfanyl)aniline?
You can request a quote for 3-Nitro-5-(phenylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-5-(phenylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-5-(phenylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.