| CAS Number | 114670-86-9 |
| Catalog Number | AG01A1VM(AGN-PC-02PA15) |
| Chemical Name | Methyl 4-ethylthiazole-5-carboxylate |
| IUPAC Name | methyl 4-ethyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C7H9NO2S/c1-3-5-6(7(9)10-2)11-4-8-5/h4H,3H2,1-2H3 |
| InChI Key | ISKDUOKBLSORJU-UHFFFAOYSA-N |
| MDL Number | MFCD22375196 |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.2169 |
| SMILES | CCC1=C(C(OC)=O)SC=N1 |
| Synonyms | Methyl 4-ethylthiazole-5-carboxylate,
114670-86-9,
methyl 4-ethyl-1,3-thiazole-5-carboxylate,
SCHEMBL5528025,
ISKDUOKBLSORJU-UHFFFAOYSA-N,
methyl 4-ethyl-5-thiazolecarboxylate,
MFCD22375196,
ZINC82164417,
AKOS027333828,
MCULE-9435854767,
NE45650,
AS-42961,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.214g/mol |
| Monoisotopic Mass | 171.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number