| CAS Number | 170953-74-9 |
| Catalog Number | AG00ADDA(AGN-PC-0MX9AI) |
| Chemical Name | Methyl-3-ethoxyisothiazole-5-carboxylate |
| IUPAC Name | methyl 3-ethoxy-1,2-thiazole-5-carboxylate |
| InChI | InChI=1S/C7H9NO3S/c1-3-11-6-4-5(12-8-6)7(9)10-2/h4H,3H2,1-2H3 |
| InChI Key | GWLLUZJZWBKEDB-UHFFFAOYSA-N |
| MDL Number | MFCD09840955 |
| Molecular Formula | C7H9NO3S |
| Molecular Weight | 187.2163 |
| SMILES | CCOc1cc(sn1)C(=O)OC |
| Synonyms | METHYL-3-ETHOXYISOTHIAZOLE-5-CARBOXYLATE,
170953-74-9,
Methyl 3-ethoxy-1,2-thiazole-5-carboxylate,
CTK6G3470,
ZINC22063129,
AKOS006326880,
RT-013889,
FT-0671768,
J-010671,
CID10012685,
Methyl 3-ethoxyisothiazole-5-carboxylate,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.213g/mol |
| Monoisotopic Mass | 187.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number