![1-Nitro-4-[(phenylsulfanyl)methyl]benzene structure](/static/products/7703/7703-38-0.webp)
1-Nitro-4-[(phenylsulfanyl)methyl]benzene
TL;DR: 1-Nitro-4-[(phenylsulfanyl)methyl]benzene (CAS 7703-38-0) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(phenylsulfanylmethyl)benzene
Also Known As: 4-Nitrobenzylphenyl sulfide, Phenyl 4-nitrobenzyl sulfide, Phenyl(4-nitrobenzyl) sulfide, 4-nitrobenzyl phenyl thioether, 1-nitro-4-[(phenylsulfanyl)methyl]benzene
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 7703-38-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NGWOGIJJDCFNAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-[(phenylsulfanyl)methyl]benzene (CAS 7703-38-0), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 1-nitro-4-(phenylsulfanylmethyl)benzene.
Chemical Property Profile of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene
Property Insights of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene
The XLogP value of 3.8 indicates that 1-Nitro-4-[(phenylsulfanyl)methyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4-[(phenylsulfanyl)methyl]benzene. Following Lipinski's Rule of Five, 1-Nitro-4-[(phenylsulfanyl)methyl]benzene has 0 hydrogen bond donor(s) and 3 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-4-[(phenylsulfanyl)methyl]benzene?
The CAS number of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene is 7703-38-0.
What is the molecular formula of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene?
The molecular formula of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene is C13H11NO2S.
What is the molecular weight of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene?
The molecular weight of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene is 245.05 g/mol.
Where can I buy 1-Nitro-4-[(phenylsulfanyl)methyl]benzene?
You can request a quote for 1-Nitro-4-[(phenylsulfanyl)methyl]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-4-[(phenylsulfanyl)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-[(phenylsulfanyl)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.