| CAS Number | 1207175-02-7 |
| Catalog Number | AG00HFP5 |
| Chemical Name | METHYL 2-(BENZO[D][1,3]DIOXOL-5-YL)-2,3-DIHYDROTHIAZOLE-4-CARBOXYLATE |
| IUPAC Name | methyl 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C12H11NO4S/c1-15-12(14)8-5-18-11(13-8)7-2-3-9-10(4-7)17-6-16-9/h2-5,11,13H,6H2,1H3 |
| InChI Key | HNWSHSARQVEGAQ-UHFFFAOYSA-N |
| MDL Number | MFCD14586351 |
| Molecular Formula | C12H11NO4S |
| Molecular Weight | 265.2850 |
| SMILES | O1COC2=C1C=CC(=C2)C2SC=C(N2)C(=O)OC |
| Synonyms | Methyl 2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydrothiazole-4-carboxylate,
1207175-02-7,
MFCD14586351,
AKOS027331490,
AS-40866,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.283g/mol |
| Monoisotopic Mass | 265.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number