2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester
TL;DR: 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester (CAS 2689-69-2) is a chemical compound with molecular formula C6H8O3S and molecular weight 160.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxothiolane-2-carboxylate
Also Known As: Methyl 3-oxotetrahydrothiophene-2-carboxylate, methyl 3-oxothiolane-2-carboxylate, Methyl tetrahydro-3-oxo-2-thenoate, 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester, 2,3,5,6-Tetrachlorophenylisothiocyanate
| Molecular Formula | C6H8O3S |
|---|---|
| Molecular Weight | 160.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.01941 |
| Heavy Atoms | 10 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 2689-69-2 |
|---|---|
| SMILES | COC(=O)C1C(=O)CCS1 |
| InChIKey | TUSSXVYKOOVOID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester (CAS 2689-69-2), with molecular formula C6H8O3S and molecular weight 160.02 g/mol. IUPAC: methyl 3-oxothiolane-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester
Property Insights of 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl 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-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester?
The CAS number of 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester is 2689-69-2.
What is the molecular formula of 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester is C6H8O3S.
What is the molecular weight of 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester is 160.02 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.