Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate
TL;DR: Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate (CAS 6702-95-0) is a chemical compound with molecular formula C5H5ClN2O2S and molecular weight 191.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chlorothiadiazole-4-carboxylate
Also Known As: ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate, ethyl 5-chlorothiadiazole-4-carboxylate, TOS-BB-0054, BROMOCHLOROFLUOROACETIC ACID, ETHYL 5-CHLORO[1,2,3]THIADIAZOLE-4-CARBOXYLATE
| Molecular Formula | C5H5ClN2O2S |
|---|---|
| Molecular Weight | 191.98 g/mol |
| LogP | 1.3682 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.97603 |
| Heavy Atoms | 11 |
| Complexity | 262.74002 |
Chemical Identifiers
| CAS Number | 6702-95-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=N1)Cl |
Product Overview
Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate (CAS 6702-95-0), with molecular formula C5H5ClN2O2S and molecular weight 191.98 g/mol. IUPAC: ethyl 5-chlorothiadiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate
Property Insights of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate
The XLogP value of 1.3682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chloro-1,2,3-thiadiazole-4-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 5-chloro-1,2,3-thiadiazole-4-carboxylate?
The CAS number of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate is 6702-95-0.
What is the molecular formula of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate?
The molecular formula of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate is C5H5ClN2O2S.
What is the molecular weight of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate?
The molecular weight of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate is 191.98 g/mol.
Where can I buy Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate?
You can request a quote for Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.