![4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde structure](/static/products/2702/270262-89-0.webp)
4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde
TL;DR: 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde (CAS 270262-89-0) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanyl-3-nitrobenzaldehyde
Also Known As: 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde, 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzaldehyde, 3-Nitro-4-(p-tolylthio)benzaldehyde, 3-(Trifluoromethoxy)benzoic acid, 4-(4-methylphenyl)sulfanyl-3-nitrobenzaldehyde
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 270262-89-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-] |
| InChIKey | PISSEQSHPLGJCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde (CAS 270262-89-0), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-3-nitrobenzaldehyde.
Chemical Property Profile of 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde
Property Insights of 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde
The XLogP value of 3.7 indicates that 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde has 0 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 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde?
The CAS number of 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde is 270262-89-0.
What is the molecular formula of 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde?
The molecular formula of 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde is C14H11NO3S.
What is the molecular weight of 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde?
The molecular weight of 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde is 273.05 g/mol.
Where can I buy 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde?
You can request a quote for 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methylphenyl)thio]-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.