S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate
TL;DR: S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate (CAS 109258-73-3) is a chemical compound with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethylphenyl)sulfonylsulfanyl-2-nitrobenzene
Also Known As: S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate, 1-(4-ethylphenyl)sulfonylsulfanyl-2-nitrobenzene, S-(2-Nitrophenyl) 4-ethylbenzene-1-sulfonothioate
| Molecular Formula | C14H13NO4S2 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0286 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 109258-73-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)S(=O)(=O)SC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | FDZOMLVCFNKLPT-UHFFFAOYSA-N |
Product Overview
S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate (CAS 109258-73-3), with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol. IUPAC: 1-(4-ethylphenyl)sulfonylsulfanyl-2-nitrobenzene.
Chemical Property Profile of S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate
Property Insights of S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate
The XLogP value of 3.8 indicates that S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate. Following Lipinski's Rule of Five, S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate has 0 hydrogen bond donor(s) and 5 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 S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate?
The CAS number of S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate is 109258-73-3.
What is the molecular formula of S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate?
The molecular formula of S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate is C14H13NO4S2.
What is the molecular weight of S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate?
The molecular weight of S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate is 323.03 g/mol.
Where can I buy S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate?
You can request a quote for S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.