Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate
TL;DR: Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 30832-92-9) is a chemical compound with molecular formula C6H6F3N3O2S and molecular weight 241.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: Ethyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate, Ethyl(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate, Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate
| Molecular Formula | C6H6F3N3O2S |
|---|---|
| Molecular Weight | 241.01 g/mol |
| LogP | 2.1253 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.01328 |
| Heavy Atoms | 15 |
| Complexity | 351.63647 |
Chemical Identifiers
| CAS Number | 30832-92-9 |
|---|---|
| SMILES | CCOC(=O)NC1=NN=C(S1)C(F)(F)F |
Product Overview
Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate (CAS 30832-92-9), with molecular formula C6H6F3N3O2S and molecular weight 241.01 g/mol. IUPAC: ethyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate
Property Insights of Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate
The XLogP value of 2.1253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate. Following Lipinski's Rule of Five, Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate has 1 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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate?
The CAS number of Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate is 30832-92-9.
What is the molecular formula of Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular formula of Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate is C6H6F3N3O2S.
What is the molecular weight of Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate?
The molecular weight of Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate is 241.01 g/mol.
Where can I buy Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate?
You can request a quote for Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.