Benzenesulfonic acid, p-nitrothio-, S-phenyl ester
TL;DR: Benzenesulfonic acid, p-nitrothio-, S-phenyl ester (CAS 3660-41-1) is a chemical compound with molecular formula C12H9NO4S2 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-phenylsulfanylsulfonylbenzene
Also Known As: 1-nitro-4-phenylsulfanylsulfonylbenzene, 4-NitrobenzenesulfonothioicacidS-phenylester, S-Phenyl 4-nitrobenzenesulfonothioate #, Benzenesulfonic acid, p-nitrothio-, S-phenyl ester, 1-nitro-4-[(phenylsulfanyl)sulfonyl]benzene
| Molecular Formula | C12H9NO4S2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.9973 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 3660-41-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | IKIAJBOBUIEDME-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, p-nitrothio-, S-phenyl ester (CAS 3660-41-1), with molecular formula C12H9NO4S2 and molecular weight 295.00 g/mol. IUPAC: 1-nitro-4-phenylsulfanylsulfonylbenzene.
Chemical Property Profile of Benzenesulfonic acid, p-nitrothio-, S-phenyl ester
Property Insights of Benzenesulfonic acid, p-nitrothio-, S-phenyl ester
The XLogP value of 3.0 indicates that Benzenesulfonic acid, p-nitrothio-, S-phenyl ester 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 Benzenesulfonic acid, p-nitrothio-, S-phenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, p-nitrothio-, S-phenyl ester 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 Benzenesulfonic acid, p-nitrothio-, S-phenyl ester?
The CAS number of Benzenesulfonic acid, p-nitrothio-, S-phenyl ester is 3660-41-1.
What is the molecular formula of Benzenesulfonic acid, p-nitrothio-, S-phenyl ester?
The molecular formula of Benzenesulfonic acid, p-nitrothio-, S-phenyl ester is C12H9NO4S2.
What is the molecular weight of Benzenesulfonic acid, p-nitrothio-, S-phenyl ester?
The molecular weight of Benzenesulfonic acid, p-nitrothio-, S-phenyl ester is 295.00 g/mol.
Where can I buy Benzenesulfonic acid, p-nitrothio-, S-phenyl ester?
You can request a quote for Benzenesulfonic acid, p-nitrothio-, S-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, p-nitrothio-, S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, p-nitrothio-, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.