Methyl 2,5-dichlorothiophene-3-carboxylate
TL;DR: Methyl 2,5-dichlorothiophene-3-carboxylate (CAS 145129-54-0) is a chemical compound with molecular formula C6H4Cl2O2S and molecular weight 209.93091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,5-dichlorothiophene-3-carboxylate
Also Known As: Methyl 2,5-dichlorothiophene-3-carboxylate, METHYL2,5-DICHLOROTHIOPHENE-3-CARBOXYLATE, 3-Thiophenecarboxylic acid, 2,5-dichloro-, methyl ester, Methyl 2,5-dichloro-3-thiophenecarboxylate, Methyl2,5-dichlorothiophene3-carboxylate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4Cl2O2S |
| Molecular Weight | 209.93091 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.93091 Da |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
| SMILES | COC(=O)C1=C(SC(=C1)Cl)Cl |
| InChIKey | VCXPHMKCDRPIDG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2,5-dichlorothiophene-3-carboxylate
Property Insights of Methyl 2,5-dichlorothiophene-3-carboxylate
The XLogP value of 3.4 indicates that Methyl 2,5-dichlorothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 2,5-dichlorothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,5-dichlorothiophene-3-carboxylate 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 Methyl 2,5-dichlorothiophene-3-carboxylate?
The CAS number of Methyl 2,5-dichlorothiophene-3-carboxylate is 145129-54-0.
What is the molecular formula of Methyl 2,5-dichlorothiophene-3-carboxylate?
The molecular formula of Methyl 2,5-dichlorothiophene-3-carboxylate is C6H4Cl2O2S.
What is the molecular weight of Methyl 2,5-dichlorothiophene-3-carboxylate?
The molecular weight of Methyl 2,5-dichlorothiophene-3-carboxylate is 209.93091 g/mol.
Where can I buy Methyl 2,5-dichlorothiophene-3-carboxylate?
You can request a quote for Methyl 2,5-dichlorothiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2,5-dichlorothiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 2,5-dichlorothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.