Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate
TL;DR: Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate (CAS 64036-93-7) is a chemical compound with molecular formula C14H21N3O12S3 and molecular weight 519.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxyethyl)-[2-(2-hydroxyethylsulfanyl)ethyl]sulfanium;2,4,6-trinitrobenzenesulfonate
Also Known As: Bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethylsulfonium picrylsulfonate, beta-Hydroxyethyl-beta-(bis(beta-hydroxyethyl)sulfonium)ethyl suflide picrylsulfonate, Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate, bis(2-hydroxyethyl){2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfonium 2,4,6-trinitrobenzenesulfonate, bis(2-hydroxyethyl)-[2-(2-hydroxyethylsulfanyl)ethyl]sulfanium; 2,4,6-trinitrobenzenesulfonate
| Molecular Formula | C14H21N3O12S3 |
|---|---|
| Molecular Weight | 519.03 g/mol |
| LogP | -0.37 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.02875 |
| Heavy Atoms | 32 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 64036-93-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C(CSCC[S+](CCO)CCO)O |
| InChIKey | BRNKVYXWOOGEPH-UHFFFAOYSA-M |
Product Overview
Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate (CAS 64036-93-7), with molecular formula C14H21N3O12S3 and molecular weight 519.03 g/mol. IUPAC: bis(2-hydroxyethyl)-[2-(2-hydroxyethylsulfanyl)ethyl]sulfanium;2,4,6-trinitrobenzenesulfonate.
Chemical Property Profile of Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate
Property Insights of Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate
The XLogP value of -0.37 indicates that Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.0 Ų indicates high polarity, suggesting Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate?
The CAS number of Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate is 64036-93-7.
What is the molecular formula of Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate?
The molecular formula of Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate is C14H21N3O12S3.
What is the molecular weight of Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate?
The molecular weight of Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate is 519.03 g/mol.
Where can I buy Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate?
You can request a quote for Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sulfonium, bis(2-hydroxyethyl)-2-(2-hydroxyethylthio)ethyl-, picrylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.