2-(2-Thienyl)ethyl benzenesulphonate
TL;DR: 2-(2-Thienyl)ethyl benzenesulphonate (CAS 85567-51-7) is a chemical compound with molecular formula C12H12O3S2 and molecular weight 268.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-2-ylethyl benzenesulfonate
Also Known As: 2-(Thiophen-2-yl)ethyl benzenesulfonate, 2-(2-Thienyl)ethyl benzenesulphonate, 2-(2-THIENYL)ETHYL BENZENESULFONATE, 2-Thiopheneethanol, 2-benzenesulfonate, EINECS 287-765-6
| Molecular Formula | C12H12O3S2 |
|---|---|
| Molecular Weight | 268.02 g/mol |
| LogP | 2.6961 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.0228 |
| Heavy Atoms | 17 |
| Complexity | 544.70135 |
Chemical Identifiers
| CAS Number | 85567-51-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CS2 |
Product Overview
2-(2-Thienyl)ethyl benzenesulphonate (CAS 85567-51-7), with molecular formula C12H12O3S2 and molecular weight 268.02 g/mol. IUPAC: 2-thiophen-2-ylethyl benzenesulfonate.
Chemical Property Profile of 2-(2-Thienyl)ethyl benzenesulphonate
Property Insights of 2-(2-Thienyl)ethyl benzenesulphonate
The XLogP value of 2.6961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Thienyl)ethyl benzenesulphonate. With a topological polar surface area (TPSA) of 43.37 Ų, 2-(2-Thienyl)ethyl benzenesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Thienyl)ethyl benzenesulphonate 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-Thienyl)ethyl benzenesulphonate?
The CAS number of 2-(2-Thienyl)ethyl benzenesulphonate is 85567-51-7.
What is the molecular formula of 2-(2-Thienyl)ethyl benzenesulphonate?
The molecular formula of 2-(2-Thienyl)ethyl benzenesulphonate is C12H12O3S2.
What is the molecular weight of 2-(2-Thienyl)ethyl benzenesulphonate?
The molecular weight of 2-(2-Thienyl)ethyl benzenesulphonate is 268.02 g/mol.
Where can I buy 2-(2-Thienyl)ethyl benzenesulphonate?
You can request a quote for 2-(2-Thienyl)ethyl benzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Thienyl)ethyl benzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Thienyl)ethyl benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.