1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate
TL;DR: 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate (CAS 73118-13-5) is a chemical compound with molecular formula C16H28N2O3S2 and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate
Also Known As: (C9-H21-N2-S.C7-H7-O3-S)x-, 1-((Ethylthio)methyl)-1,4-dimethylpiperazinium di-p-toluenesulfonate, polymer, 1-(ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium; 4-methylbenzenesulfonate, Piperazinium, 1-((ethylthio)methyl)-1,4-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1), homopolymer
| Molecular Formula | C16H28N2O3S2 |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 1.98812 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.15414 |
| Heavy Atoms | 23 |
| Complexity | 559.9833 |
Chemical Identifiers
| CAS Number | 73118-13-5 |
|---|---|
| SMILES | CCSC[N+]1(CCN(CC1)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate (CAS 73118-13-5), with molecular formula C16H28N2O3S2 and molecular weight 360.15 g/mol. IUPAC: 1-(ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate.
Chemical Property Profile of 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate
Property Insights of 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate
The XLogP value of 1.98812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate 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
Frequently Asked Questions
What is the CAS number of 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate?
The CAS number of 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate is 73118-13-5.
What is the molecular formula of 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate?
The molecular formula of 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate is C16H28N2O3S2.
What is the molecular weight of 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate?
The molecular weight of 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate is 360.15 g/mol.
Where can I buy 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate?
You can request a quote for 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethylsulfanylmethyl)-1,4-dimethylpiperazin-1-ium;4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.