5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester
TL;DR: 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester (CAS 29682-53-9) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methylthiadiazole-4-carboxylate
Also Known As: Ethyl 5-methyl-1,2,3-thiadiazole-4-carboxylate, ethyl 5-methylthiadiazole-4-carboxylate, tetraethyleneglycolmonomethylether, 5-Methyl-[1,2,3]thiadiazole-4-carboxylic acid ethyl ester, Ethyl5-methyl-1,2,3-thiadiazole-4-carboxylate
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 29682-53-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=N1)C |
| InChIKey | TUEYHEWXYWCDHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester (CAS 29682-53-9), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: ethyl 5-methylthiadiazole-4-carboxylate.
Chemical Property Profile of 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester
Property Insights of 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 5 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 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester?
The CAS number of 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester is 29682-53-9.
What is the molecular formula of 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester?
The molecular formula of 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester is C6H8N2O2S.
What is the molecular weight of 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester?
The molecular weight of 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester is 172.03 g/mol.
Where can I buy 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester?
You can request a quote for 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-(1,2,3)thiadiazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.