Benzenesulfonothioic acid, S-(2-nitrophenyl) ester
TL;DR: Benzenesulfonothioic acid, S-(2-nitrophenyl) ester (CAS 18512-80-6) 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-(benzenesulfonylsulfanyl)-2-nitrobenzene
Also Known As: S-(o-Nitrophenyl) benzenethiosulfonate, 1-(benzenesulfonylsulfanyl)-2-nitrobenzene, Benzenesulfonothioic acid, S-(2-nitrophenyl) ester, S-(2-Nitrophenyl) benzenesulfonothioate, 1-(benzenesulfonylsulfanyl)-2-nitro-benzene
| Molecular Formula | C12H9NO4S2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 3.0758 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.9973 |
| Heavy Atoms | 19 |
| Complexity | 698.67914 |
Chemical Identifiers
| CAS Number | 18512-80-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)SC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
Benzenesulfonothioic acid, S-(2-nitrophenyl) ester (CAS 18512-80-6), with molecular formula C12H9NO4S2 and molecular weight 295.00 g/mol. IUPAC: 1-(benzenesulfonylsulfanyl)-2-nitrobenzene.
Chemical Property Profile of Benzenesulfonothioic acid, S-(2-nitrophenyl) ester
Property Insights of Benzenesulfonothioic acid, S-(2-nitrophenyl) ester
The XLogP value of 3.0758 indicates that Benzenesulfonothioic acid, S-(2-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, S-(2-nitrophenyl) ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, S-(2-nitrophenyl) 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 Benzenesulfonothioic acid, S-(2-nitrophenyl) ester?
The CAS number of Benzenesulfonothioic acid, S-(2-nitrophenyl) ester is 18512-80-6.
What is the molecular formula of Benzenesulfonothioic acid, S-(2-nitrophenyl) ester?
The molecular formula of Benzenesulfonothioic acid, S-(2-nitrophenyl) ester is C12H9NO4S2.
What is the molecular weight of Benzenesulfonothioic acid, S-(2-nitrophenyl) ester?
The molecular weight of Benzenesulfonothioic acid, S-(2-nitrophenyl) ester is 295.00 g/mol.
Where can I buy Benzenesulfonothioic acid, S-(2-nitrophenyl) ester?
You can request a quote for Benzenesulfonothioic acid, S-(2-nitrophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonothioic acid, S-(2-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, S-(2-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.