| CAS Number | 1330755-46-8 |
| Catalog Number | AG01BVAJ |
| Chemical Name | ethyl 5-cyclopropyl-1,3,4-thiadiazole-2-carboxylate |
| IUPAC Name | ethyl 5-cyclopropyl-1,3,4-thiadiazole-2-carboxylate |
| InChI | InChI=1S/C8H10N2O2S/c1-2-12-8(11)7-10-9-6(13-7)5-3-4-5/h5H,2-4H2,1H3 |
| InChI Key | UEARHRMLGMIDMJ-UHFFFAOYSA-N |
| MDL Number | MFCD19981635 |
| Molecular Formula | C8H10N2O2S |
| Molecular Weight | 198.2422 |
| SMILES | CCOC(C1SC(C2CC2)=NN=1)=O |
| Synonyms | Ethyl 5-cyclopropyl-1,3,4-thiadiazole-2-carboxylate,
1330755-46-8,
SCHEMBL20305362,
ZINC72206862,
AKOS027450484,
5-Cyclopropyl-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.24g/mol |
| Monoisotopic Mass | 198.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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