2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate
TL;DR: 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate (CAS 6302-92-7) is a chemical compound with molecular formula C11H15ClO3S2 and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate, 2-[(2-chloroethyl)sulfanyl]ethyl 4-methylbenzenesulfonate, Ethanol,2-[(2-chloroethyl)thio]-,1-(4-methylbenzenesulfonate), 2-[(2-Chloroethyl)sulfanyl]ethyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C11H15ClO3S2 |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.0151 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 6302-92-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCSCCCl |
| InChIKey | ZYALFRBDRSGXJM-UHFFFAOYSA-N |
Product Overview
2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate (CAS 6302-92-7), with molecular formula C11H15ClO3S2 and molecular weight 294.02 g/mol. IUPAC: 2-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate
Property Insights of 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate 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 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate?
The CAS number of 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate is 6302-92-7.
What is the molecular formula of 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate is C11H15ClO3S2.
What is the molecular weight of 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate is 294.02 g/mol.
Where can I buy 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.