Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester
TL;DR: Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester (CAS 139131-29-6) is a chemical compound with molecular formula C10H14FNO2S2 and molecular weight 263.045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluorophenyl)sulfonylsulfanyl-N,N-dimethylethanamine
Also Known As: Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester, 2-(4-fluorophenyl)sulfonylsulfanyl-N,N-dimethylethanamine, S-[2-(dimethylamino)ethyl] 4-fluorobenzenesulfonothioate, {2-[(4-fluorobenzenesulfonyl)sulfanyl]ethyl}dimethylamine, 2-(4-fluorophenyl)sulfonylsulfanyl-N,N-dimethyl-ethanamine
Technical Specifications
| Molecular Formula | C10H14FNO2S2 |
| Molecular Weight | 263.045 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.045 Da |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
| SMILES | CN(C)CCSS(=O)(=O)C1=CC=C(C=C1)F |
| InChIKey | LKMZUEQZZSSMRZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester
Property Insights of Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonothioic acid, 4-fluoro-, 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-fluoro-, S-(2-(dimethylamino)ethyl) ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) 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
What is the CAS number of Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester?
The CAS number of Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester is 139131-29-6.
What is the molecular formula of Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester?
The molecular formula of Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester is C10H14FNO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester?
The molecular weight of Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester is 263.045 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester?
You can request a quote for Benzenesulfonothioic acid, 4-fluoro-, 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-fluoro-, S-(2-(dimethylamino)ethyl) ester?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonothioic acid, 4-fluoro-, S-(2-(dimethylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.