1-Methylsulfonylsulfanyl-4-nitro-benzene
TL;DR: 1-Methylsulfonylsulfanyl-4-nitro-benzene (CAS 2080-82-2) is a chemical compound with molecular formula C7H7NO4S2 and molecular weight 232.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylsulfanyl-4-nitrobenzene
Also Known As: 1-methylsulfonylsulfanyl-4-nitrobenzene, S-(4-nitrophenyl) methanesulfonothioate, 1-methylsulfonylsulfanyl-4-nitro-benzene, 1-(methanesulfonylsulfanyl)-4-nitrobenzene, J1.379.990C
| Molecular Formula | C7H7NO4S2 |
|---|---|
| Molecular Weight | 232.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.98164 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 2080-82-2 |
|---|---|
| SMILES | CS(=O)(=O)SC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | ILWPDZKYSYUQBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylsulfonylsulfanyl-4-nitro-benzene (CAS 2080-82-2), with molecular formula C7H7NO4S2 and molecular weight 232.98 g/mol. IUPAC: 1-methylsulfonylsulfanyl-4-nitrobenzene.
Chemical Property Profile of 1-Methylsulfonylsulfanyl-4-nitro-benzene
Property Insights of 1-Methylsulfonylsulfanyl-4-nitro-benzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylsulfonylsulfanyl-4-nitro-benzene. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylsulfonylsulfanyl-4-nitro-benzene. Following Lipinski's Rule of Five, 1-Methylsulfonylsulfanyl-4-nitro-benzene 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 1-Methylsulfonylsulfanyl-4-nitro-benzene?
The CAS number of 1-Methylsulfonylsulfanyl-4-nitro-benzene is 2080-82-2.
What is the molecular formula of 1-Methylsulfonylsulfanyl-4-nitro-benzene?
The molecular formula of 1-Methylsulfonylsulfanyl-4-nitro-benzene is C7H7NO4S2.
What is the molecular weight of 1-Methylsulfonylsulfanyl-4-nitro-benzene?
The molecular weight of 1-Methylsulfonylsulfanyl-4-nitro-benzene is 232.98 g/mol.
Where can I buy 1-Methylsulfonylsulfanyl-4-nitro-benzene?
You can request a quote for 1-Methylsulfonylsulfanyl-4-nitro-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylsulfonylsulfanyl-4-nitro-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylsulfonylsulfanyl-4-nitro-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.