1-Nitro-2-(3-toluidinosulfanyl)benzene
TL;DR: 1-Nitro-2-(3-toluidinosulfanyl)benzene (CAS 72848-43-2) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(2-nitrophenyl)sulfanylaniline
Also Known As: 1-nitro-2-(3-toluidinosulfanyl)benzene, 3-methyl-N-(2-nitrophenyl)sulfanylaniline, 3-methyl-N-[(2-nitrophenyl)sulfanyl]aniline, (3-methylphenyl)(2-nitrophenylthio)amine, AS-871/09659005
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 72848-43-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NSC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | VUCXTNNGXNBLNA-UHFFFAOYSA-N |
Product Overview
1-Nitro-2-(3-toluidinosulfanyl)benzene (CAS 72848-43-2), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 3-methyl-N-(2-nitrophenyl)sulfanylaniline.
Chemical Property Profile of 1-Nitro-2-(3-toluidinosulfanyl)benzene
Property Insights of 1-Nitro-2-(3-toluidinosulfanyl)benzene
The XLogP value of 4.1 indicates that 1-Nitro-2-(3-toluidinosulfanyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-2-(3-toluidinosulfanyl)benzene. Following Lipinski's Rule of Five, 1-Nitro-2-(3-toluidinosulfanyl)benzene 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 1-Nitro-2-(3-toluidinosulfanyl)benzene?
The CAS number of 1-Nitro-2-(3-toluidinosulfanyl)benzene is 72848-43-2.
What is the molecular formula of 1-Nitro-2-(3-toluidinosulfanyl)benzene?
The molecular formula of 1-Nitro-2-(3-toluidinosulfanyl)benzene is C13H12N2O2S.
What is the molecular weight of 1-Nitro-2-(3-toluidinosulfanyl)benzene?
The molecular weight of 1-Nitro-2-(3-toluidinosulfanyl)benzene is 260.06 g/mol.
Where can I buy 1-Nitro-2-(3-toluidinosulfanyl)benzene?
You can request a quote for 1-Nitro-2-(3-toluidinosulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-(3-toluidinosulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-(3-toluidinosulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.