| CAS Number | 1330751-86-4 |
| Catalog Number | AG01BUQ7 |
| Chemical Name | ethyl 5-ethyl-1,3,4-thiadiazole-2-carboxylate |
| IUPAC Name | ethyl 5-ethyl-1,3,4-thiadiazole-2-carboxylate |
| InChI | InChI=1S/C7H10N2O2S/c1-3-5-8-9-6(12-5)7(10)11-4-2/h3-4H2,1-2H3 |
| InChI Key | KTDGOBVYXGZBAQ-UHFFFAOYSA-N |
| MDL Number | MFCD19981642 |
| Molecular Formula | C7H10N2O2S |
| Molecular Weight | 186.2315 |
| SMILES | CCOC(C1SC(CC)=NN=1)=O |
| Synonyms | Ethyl 5-ethyl-1,3,4-thiadiazole-2-carboxylate,
1330751-86-4,
SCHEMBL15945408,
5-Ethyl-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester,
ZINC72206870,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.229g/mol |
| Monoisotopic Mass | 186.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number