![2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde structure](/static/products/1752/175278-42-9.webp)
2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde
TL;DR: 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde (CAS 175278-42-9) 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.
2-(4-methylphenyl)sulfanyl-5-nitrobenzaldehyde
Also Known As: 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde, 5-Nitro-2-(p-tolylthio)benzaldehyde, 2-isothiocyanatopyridine, 2-[(4-methylphenyl)sulfanyl]-5-nitrobenzaldehyde, TIMTEC-BB SBB002349
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 3.86692 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 623.08826 |
Chemical Identifiers
| CAS Number | 175278-42-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=O |
Product Overview
2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde (CAS 175278-42-9), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 2-(4-methylphenyl)sulfanyl-5-nitrobenzaldehyde.
Chemical Property Profile of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde
Property Insights of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde
The XLogP value of 3.86692 indicates that 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)thio]-5-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 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde?
The CAS number of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde is 175278-42-9.
What is the molecular formula of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde?
The molecular formula of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde is C14H11NO3S.
What is the molecular weight of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde?
The molecular weight of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde is 273.05 g/mol.
Where can I buy 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde?
You can request a quote for 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.