Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate
TL;DR: Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate (CAS 7250-42-2) is a chemical compound with molecular formula C14H20ClN3O11S3 and molecular weight 536.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanyl)ethyl-bis(2-hydroxyethyl)sulfanium;2,4,6-trinitrobenzenesulfonate
Also Known As: KST-1B8339, 4CH-003437, Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate, beta-Chloroethyl beta-(bis(beta-hydroxyethyl)sulfonium)ethyl sulfide picrylsulfonate, Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, picrylsulfonate
| Molecular Formula | C14H20ClN3O11S3 |
|---|---|
| Molecular Weight | 536.99 g/mol |
| LogP | 0.88 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.9949 |
| Heavy Atoms | 32 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 7250-42-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C(C[S+](CCO)CCSCCCl)O |
| InChIKey | RJVNPFZVXFFCFH-UHFFFAOYSA-M |
Product Overview
Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate (CAS 7250-42-2), with molecular formula C14H20ClN3O11S3 and molecular weight 536.99 g/mol. IUPAC: 2-(2-chloroethylsulfanyl)ethyl-bis(2-hydroxyethyl)sulfanium;2,4,6-trinitrobenzenesulfonate.
Chemical Property Profile of Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate
Property Insights of Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate
The XLogP value of 0.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate. The TPSA of 270.0 Ų indicates high polarity, suggesting Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate has 2 hydrogen bond donor(s) and 12 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-chloroethylthio)ethyl-, picrylsulfonate?
The CAS number of Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate is 7250-42-2.
What is the molecular formula of Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate?
The molecular formula of Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate is C14H20ClN3O11S3.
What is the molecular weight of Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate?
The molecular weight of Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate is 536.99 g/mol.
Where can I buy Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate?
You can request a quote for Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)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-chloroethylthio)ethyl-, picrylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.