p-((p-Nitrophenyl)thio)toluene
TL;DR: p-((p-Nitrophenyl)thio)toluene (CAS 22865-48-1) 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-methyl-4-(4-nitrophenyl)sulfanylbenzene
Also Known As: p-((p-Nitrophenyl)thio)toluene, (4-nitrophenyl)(p-tolyl)sulfane, p-Tolyl p-nitrophenyl sulfide, P-[(P-NITROPHENYL)THIO]TOLUENE, 1-methyl-4-(4-nitrophenyl)sulfanylbenzene
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 22865-48-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DLQBSTSAXPLSIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-((p-Nitrophenyl)thio)toluene (CAS 22865-48-1), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 1-methyl-4-(4-nitrophenyl)sulfanylbenzene.
Chemical Property Profile of p-((p-Nitrophenyl)thio)toluene
Property Insights of p-((p-Nitrophenyl)thio)toluene
The XLogP value of 4.4 indicates that p-((p-Nitrophenyl)thio)toluene 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 p-((p-Nitrophenyl)thio)toluene. Following Lipinski's Rule of Five, p-((p-Nitrophenyl)thio)toluene 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 p-((p-Nitrophenyl)thio)toluene?
The CAS number of p-((p-Nitrophenyl)thio)toluene is 22865-48-1.
What is the molecular formula of p-((p-Nitrophenyl)thio)toluene?
The molecular formula of p-((p-Nitrophenyl)thio)toluene is C13H11NO2S.
What is the molecular weight of p-((p-Nitrophenyl)thio)toluene?
The molecular weight of p-((p-Nitrophenyl)thio)toluene is 245.05 g/mol.
Where can I buy p-((p-Nitrophenyl)thio)toluene?
You can request a quote for p-((p-Nitrophenyl)thio)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-((p-Nitrophenyl)thio)toluene?
Yes, KEHONG BIO provides custom synthesis services for p-((p-Nitrophenyl)thio)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.