| CAS Number | 64024-47-1 |
| Catalog Number | AG01BILN(AGN-PC-0H1HDK) |
| Chemical Name | Methyl 4-methylisothiazole-3-carboxylate |
| IUPAC Name | methyl 4-methyl-1,2-thiazole-3-carboxylate |
| InChI | InChI=1S/C6H7NO2S/c1-4-3-10-7-5(4)6(8)9-2/h3H,1-2H3 |
| InChI Key | GJGSPBFXVYMDMD-UHFFFAOYSA-N |
| MDL Number | MFCD22377546 |
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.1903 |
| SMILES | O=C(C1=NSC=C1C)OC |
| Synonyms | 64024-47-1,
Methyl 4-methylisothiazole-3-carboxylate,
Methyl 4-methyl-1,2-thiazole-3-carboxylate,
SCHEMBL109707,
GJGSPBFXVYMDMD-UHFFFAOYSA-N,
Methyl 4-methyl-3-isothiazolecarboxylate,
AJ-137780,
3-Isothiazolecarboxylic acid, 4-methyl-, methyl ester,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.187g/mol |
| Monoisotopic Mass | 157.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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