Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester
TL;DR: Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester (CAS 139131-28-5) is a chemical compound with molecular formula C11H17NO2S2 and molecular weight 259.07007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-(4-methylphenyl)sulfonylsulfanylethanamine
Also Known As: Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester, N,N-dimethyl-2-(4-methylphenyl)sulfonylsulfanyl-ethanamine, N,N-dimethyl-2-(4-methylphenyl)sulfonylsulfanylethanamine, S-[2-(dimethylamino)ethyl] 4-methylbenzenesulfonothioate, S-[2-(Dimethylamino)ethyl] 4-methylbenzene-1-sulfonothioate
Technical Specifications
| Molecular Formula | C11H17NO2S2 |
| Molecular Weight | 259.07007 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.07007 Da |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SCCN(C)C |
| InChIKey | YMXGBWGBEZHMMX-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester
Property Insights of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester has 0 hydrogen bond donor(s) and 4 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?
The CAS number of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester is 139131-28-5.
What is the molecular formula of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester?
The molecular formula of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester is C11H17NO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester?
The molecular weight of Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester is 259.07007 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester?
You can request a quote for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester 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?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonothioic acid, 4-methyl-, S-(2-(dimethylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.