| CAS Number | 1323408-10-1 |
| Catalog Number | AG01DV99 |
| Chemical Name | Methyl 5-methyl-1,3-benzothiazole-2-carboxylate |
| IUPAC Name | methyl 5-methyl-1,3-benzothiazole-2-carboxylate |
| InChI | InChI=1S/C10H9NO2S/c1-6-3-4-8-7(5-6)11-9(14-8)10(12)13-2/h3-5H,1-2H3 |
| InChI Key | WGKPRULYVMVFER-UHFFFAOYSA-N |
| MDL Number | MFCD28667403 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.249 |
| SMILES | COC(C1SC2=C(C=C(C=C2)C)N=1)=O |
| Synonyms | 1323408-10-1,
SCHEMBL2249604,
2-Benzothiazolecarboxylic acid, 5-methyl-, methyl ester,
GEO-04027,
methyl 5-methylbenzo[d]thiazole-2-carboxylate,
methyl 5-methyl-1,3-benzothiazole-2-carboxylate,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.247g/mol |
| Monoisotopic Mass | 207.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number