3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester
TL;DR: 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester (CAS 14559-13-8) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 4,5-dimethylthiophene-3-carboxylate, 3-carbomethoxy-4,5-dimethylthiophene, Methyl 4,5-dimethyl-3-thiophenecarboxylate, methyl4,5-dimethylthiophene-3-carboxylate, EC 604-481-3
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O2S |
| Molecular Weight | 170.04015 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04015 Da |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| SMILES | CC1=C(SC=C1C(=O)OC)C |
| InChIKey | KGRBMZZUBBZAPX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester
Property Insights of 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester. With a topological polar surface area (TPSA) of 54.5 Ų, 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester is 14559-13-8.
What is the molecular formula of 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester is C8H10O2S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester is 170.04015 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Thiophenecarboxylic acid, 4,5-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.