Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide
TL;DR: Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide (CAS 139131-37-6) is a chemical compound with molecular formula C11H16N2O4S2-2 and molecular weight 304.05515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,1-N'-dimethyl-2-(4-methylphenyl)sulfonylsulfanyl-1-N,1-N'-dioxidoethane-1,1-diamine
Also Known As: Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide, 1-N,1-N'-dimethyl-2-(4-methylphenyl)sulfonylsulfanyl-1-N,1-N'-dioxidoethane-1,1-diamine, N,N'-dimethyl-2-(4-methylphenyl)sulfonylsulfanyl-N,N'-dioxido-ethane-1,1-diamine, [{2-[(4-Methylbenzene-1-sulfonyl)sulfanyl]ethane-1,1-diyl}bis(methylazanediyl)]bis(oxidanide)
Technical Specifications
| Molecular Formula | C11H16N2O4S2-2 |
| Molecular Weight | 304.05515 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.05515 Da |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SCC(N(C)[O-])N(C)[O-] |
| InChIKey | PWHBGVCETVSACN-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide
Property Insights of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide?
The CAS number of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide is 139131-37-6.
What is the molecular formula of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide?
The molecular formula of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide is C11H16N2O4S2-2.
What is the molecular weight of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide?
The molecular weight of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide is 304.05515 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide?
You can request a quote for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.