2-Thiophenesulfonic acid, 4-methylphenyl ester
TL;DR: 2-Thiophenesulfonic acid, 4-methylphenyl ester (CAS 88022-36-0) is a chemical compound with molecular formula C11H10O3S2 and molecular weight 254.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) thiophene-2-sulfonate
Also Known As: 2-Thiophenesulfonic acid, 4-methylphenyl ester, 4-methylphenyl 2-thiophenesulfonate, (4-methylphenyl) thiophene-2-sulfonate, 4-methylphenyl thiophene-2-sulfonate, AQ-390/42107486
| Molecular Formula | C11H10O3S2 |
|---|---|
| Molecular Weight | 254.01 g/mol |
| LogP | 2.82422 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.00714 |
| Heavy Atoms | 16 |
| Complexity | 553.787 |
Chemical Identifiers
| CAS Number | 88022-36-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CS2 |
Product Overview
2-Thiophenesulfonic acid, 4-methylphenyl ester (CAS 88022-36-0), with molecular formula C11H10O3S2 and molecular weight 254.01 g/mol. IUPAC: (4-methylphenyl) thiophene-2-sulfonate.
Chemical Property Profile of 2-Thiophenesulfonic acid, 4-methylphenyl ester
Property Insights of 2-Thiophenesulfonic acid, 4-methylphenyl ester
The XLogP value of 2.82422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenesulfonic acid, 4-methylphenyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Thiophenesulfonic acid, 4-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenesulfonic acid, 4-methylphenyl ester 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-Thiophenesulfonic acid, 4-methylphenyl ester?
The CAS number of 2-Thiophenesulfonic acid, 4-methylphenyl ester is 88022-36-0.
What is the molecular formula of 2-Thiophenesulfonic acid, 4-methylphenyl ester?
The molecular formula of 2-Thiophenesulfonic acid, 4-methylphenyl ester is C11H10O3S2.
What is the molecular weight of 2-Thiophenesulfonic acid, 4-methylphenyl ester?
The molecular weight of 2-Thiophenesulfonic acid, 4-methylphenyl ester is 254.01 g/mol.
Where can I buy 2-Thiophenesulfonic acid, 4-methylphenyl ester?
You can request a quote for 2-Thiophenesulfonic acid, 4-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenesulfonic acid, 4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenesulfonic acid, 4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.