| CAS Number | 2137649-59-1 |
| Catalog Number | AG01EIOZ |
| Chemical Name | tert-butyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]acetate |
| IUPAC Name | tert-butyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]acetate |
| InChI | InChI=1S/C9H14N2O3S/c1-6-10-8(15-11-6)13-5-7(12)14-9(2,3)4/h5H2,1-4H3 |
| InChI Key | NRLJCGJJPLVOLT-UHFFFAOYSA-N |
| MDL Number | MFCD31559378 |
| Molecular Formula | C9H14N2O3S |
| Molecular Weight | 230.2841 |
| SMILES | CC1N=C(OCC(OC(C)(C)C)=O)SN=1 |
| Synonyms | tert-butyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]acetate,
2137649-59-1,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.282g/mol |
| Monoisotopic Mass | 230.073g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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