![4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide structure](/static/products/5872/5872-93-5.webp)
4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide
TL;DR: 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide (CAS 5872-93-5) is a chemical compound with molecular formula C10H14N2O4S2 and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
Also Known As: BAS 01988405, BIM-0036866.P001, 4-methyl-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide, 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide, 4-methyl-N-[2-(methylthio)ethyl]-3-nitrobenzenesulfonamide
| Molecular Formula | C10H14N2O4S2 |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 1.54452 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.0395 |
| Heavy Atoms | 18 |
| Complexity | 542.8087 |
Chemical Identifiers
| CAS Number | 5872-93-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NCCSC)[N+](=O)[O-] |
Product Overview
4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide (CAS 5872-93-5), with molecular formula C10H14N2O4S2 and molecular weight 290.04 g/mol. IUPAC: 4-methyl-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide
Property Insights of 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide
The XLogP value of 1.54452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide. Following Lipinski's Rule of Five, 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide has 1 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 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide?
The CAS number of 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide is 5872-93-5.
What is the molecular formula of 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide?
The molecular formula of 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide is C10H14N2O4S2.
What is the molecular weight of 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide?
The molecular weight of 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide is 290.04 g/mol.
Where can I buy 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide?
You can request a quote for 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-[2-(methylsulfanyl)ethyl]-3-nitrobenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.