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Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
TL;DR: Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate (CAS 306977-11-7) is a chemical compound with molecular formula C12H9F3N2O2S2 and molecular weight 334.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[3-(trifluoromethyl)phenyl]sulfanylthiadiazole-4-carboxylate
Also Known As: 12G-352S, ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate, ethyl 5-[3-(trifluoromethyl)phenyl]sulfanylthiadiazole-4-carboxylate, ethyl5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
| Molecular Formula | C12H9F3N2O2S2 |
|---|---|
| Molecular Weight | 334.01 g/mol |
| LogP | 3.8848 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.00577 |
| Heavy Atoms | 21 |
| Complexity | 643.4279 |
Chemical Identifiers
| CAS Number | 306977-11-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=N1)SC2=CC=CC(=C2)C(F)(F)F |
Product Overview
Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate (CAS 306977-11-7), with molecular formula C12H9F3N2O2S2 and molecular weight 334.01 g/mol. IUPAC: ethyl 5-[3-(trifluoromethyl)phenyl]sulfanylthiadiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Property Insights of Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
The XLogP value of 3.8848 indicates that Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate has 0 hydrogen bond donor(s) and 6 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-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate?
The CAS number of Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate is 306977-11-7.
What is the molecular formula of Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate?
The molecular formula of Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate is C12H9F3N2O2S2.
What is the molecular weight of Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate?
The molecular weight of Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate is 334.01 g/mol.
Where can I buy Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate?
You can request a quote for Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-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-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.