Ethyl 1,2,3-thiadiazole-5-carboxylate
TL;DR: Ethyl 1,2,3-thiadiazole-5-carboxylate (CAS 4100-14-5) is a chemical compound with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl thiadiazole-5-carboxylate
Also Known As: Ethyl 1,2,3-thiadiazole-5-carboxylate, ethyl thiadiazole-5-carboxylate, Ethyl 123-thiadiazole-5-carboxylate, 1-(1,2,3-thiadiazol-5-yl)butan-1-one, 1,2,3-Thiadiazole-5-carboxylic acid ethyl ester
| Molecular Formula | C5H6N2O2S |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.015 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 4100-14-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=NS1 |
| InChIKey | IVZZCUPPIUETNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1,2,3-thiadiazole-5-carboxylate (CAS 4100-14-5), with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol. IUPAC: ethyl thiadiazole-5-carboxylate.
Chemical Property Profile of Ethyl 1,2,3-thiadiazole-5-carboxylate
Property Insights of Ethyl 1,2,3-thiadiazole-5-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2,3-thiadiazole-5-carboxylate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,2,3-thiadiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,2,3-thiadiazole-5-carboxylate 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 Ethyl 1,2,3-thiadiazole-5-carboxylate?
The CAS number of Ethyl 1,2,3-thiadiazole-5-carboxylate is 4100-14-5.
What is the molecular formula of Ethyl 1,2,3-thiadiazole-5-carboxylate?
The molecular formula of Ethyl 1,2,3-thiadiazole-5-carboxylate is C5H6N2O2S.
What is the molecular weight of Ethyl 1,2,3-thiadiazole-5-carboxylate?
The molecular weight of Ethyl 1,2,3-thiadiazole-5-carboxylate is 158.01 g/mol.
Where can I buy Ethyl 1,2,3-thiadiazole-5-carboxylate?
You can request a quote for Ethyl 1,2,3-thiadiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,2,3-thiadiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2,3-thiadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.