对硝基硫代苯甲酸S-(对甲苯基)酯
TL;DR: 对硝基硫代苯甲酸S-(对甲苯基)酯 (CAS 28122-84-1) 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.
对硝基硫代苯甲酸S-(对甲苯基)酯
S-(4-methylphenyl) 4-nitrobenzenecarbothioate
Also Known As: S-(p-Tolyl) p-nitrothiobenzoate, S-(p-Tolyl) 4-nitrothiolbenzoate, 4-NitrothiobenzoicacidS-p-tolylester, S-(4-Methylphenyl) 4-nitrobenzenecarbothioate, 4-Nitrothiobenzoic acid S-p-tolyl ester
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 4.1 |
| 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 | 326.0 |
Chemical Identifiers
| CAS Number | 28122-84-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LMFTVBRXQOQHQC-UHFFFAOYSA-N |
Product Overview
对硝基硫代苯甲酸S-(对甲苯基)酯 (CAS 28122-84-1), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: S-(4-methylphenyl) 4-nitrobenzenecarbothioate.
Chemical Property Profile of 对硝基硫代苯甲酸S-(对甲苯基)酯
Property Insights of 对硝基硫代苯甲酸S-(对甲苯基)酯
The XLogP value of 4.1 indicates that 对硝基硫代苯甲酸S-(对甲苯基)酯 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 对硝基硫代苯甲酸S-(对甲苯基)酯. Following Lipinski's Rule of Five, 对硝基硫代苯甲酸S-(对甲苯基)酯 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 对硝基硫代苯甲酸S-(对甲苯基)酯?
The CAS number of 对硝基硫代苯甲酸S-(对甲苯基)酯 is 28122-84-1.
What is the molecular formula of 对硝基硫代苯甲酸S-(对甲苯基)酯?
The molecular formula of 对硝基硫代苯甲酸S-(对甲苯基)酯 is C14H11NO3S.
What is the molecular weight of 对硝基硫代苯甲酸S-(对甲苯基)酯?
The molecular weight of 对硝基硫代苯甲酸S-(对甲苯基)酯 is 273.05 g/mol.
Where can I buy 对硝基硫代苯甲酸S-(对甲苯基)酯?
You can request a quote for 对硝基硫代苯甲酸S-(对甲苯基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对硝基硫代苯甲酸S-(对甲苯基)酯?
Yes, KEHONG BIO provides custom synthesis services for 对硝基硫代苯甲酸S-(对甲苯基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.