Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester
TL;DR: Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester (CAS 139131-30-9) is a chemical compound with molecular formula C15H25NO2S2 and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methylphenyl)sulfonylsulfanylethyl]-N-propan-2-ylpropan-2-amine
Also Known As: Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, N-[2-(4-methylphenyl)sulfonylsulfanylethyl]-N-propan-2-yl-propan-2-amine, {2-[(4-methylbenzenesulfonyl)sulfanyl]ethyl}bis(propan-2-yl)amine, 4-Methylbenzenethiosulfonic acid S-[2-(diisopropylamino)ethyl] ester, S-{2-[Di(propan-2-yl)amino]ethyl} 4-methylbenzene-1-sulfonothioate
| Molecular Formula | C15H25NO2S2 |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.13266 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 139131-30-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SCCN(C(C)C)C(C)C |
| InChIKey | ORDGIHAKNCSFMX-UHFFFAOYSA-N |
Product Overview
Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester (CAS 139131-30-9), with molecular formula C15H25NO2S2 and molecular weight 315.13 g/mol. IUPAC: N-[2-(4-methylphenyl)sulfonylsulfanylethyl]-N-propan-2-ylpropan-2-amine.
Chemical Property Profile of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester
Property Insights of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester
The XLogP value of 3.6 indicates that Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)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
Frequently Asked Questions
What is the CAS number of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester?
The CAS number of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester is 139131-30-9.
What is the molecular formula of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester?
The molecular formula of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester is C15H25NO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester?
The molecular weight of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester is 315.13 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester?
You can request a quote for Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.