Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride
TL;DR: Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride (CAS 139131-35-4) is a chemical compound with molecular formula C15H26ClNO2S2 and molecular weight 351.11 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;hydrochloride
Also Known As: Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride, N-[2-(4-methylphenyl)sulfonylsulfanylethyl]-N-propan-2-yl-propan-2-amine Hydrochloride, N-[2-(4-methylphenyl)sulfonylsulfanylethyl]-N-propan-2-ylpropan-2-amine hydrochloride, S-{2-[Di(propan-2-yl)amino]ethyl} 4-methylbenzene-1-sulfonothioate--hydrogen chloride (1/1)
| Molecular Formula | C15H26ClNO2S2 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 3.95752 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.10934 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 139131-35-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SCCN(C(C)C)C(C)C.Cl |
| InChIKey | DFZOATMMWPLFLD-UHFFFAOYSA-N |
Product Overview
Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride (CAS 139131-35-4), with molecular formula C15H26ClNO2S2 and molecular weight 351.11 g/mol. IUPAC: N-[2-(4-methylphenyl)sulfonylsulfanylethyl]-N-propan-2-ylpropan-2-amine;hydrochloride.
Chemical Property Profile of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride
Property Insights of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride
The XLogP value of 3.95752 indicates that Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride 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, hydrochloride. Following Lipinski's Rule of Five, Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride has 1 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, hydrochloride?
The CAS number of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride is 139131-35-4.
What is the molecular formula of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride?
The molecular formula of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride is C15H26ClNO2S2.
What is the molecular weight of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride?
The molecular weight of Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride is 351.11 g/mol.
Where can I buy Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride?
You can request a quote for Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride 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, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid, 4-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.