| CAS Number | 1236115-18-6 |
| Catalog Number | AG00HHCS(AGN-PC-0WG3VI) |
| Chemical Name | METHYL 6-METHYL-1,3-BENZOTHIAZOLE-2-CARBOXYLATE |
| IUPAC Name | methyl 6-methyl-1,3-benzothiazole-2-carboxylate |
| InChI | InChI=1S/C10H9NO2S/c1-6-3-4-7-8(5-6)14-9(11-7)10(12)13-2/h3-5H,1-2H3 |
| InChI Key | JDZWDOQTEJERKM-UHFFFAOYSA-N |
| MDL Number | MFCD22373213 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.2490 |
| SMILES | COC(=O)c1nc2c(s1)cc(cc2)C |
| Synonyms | 1236115-18-6,
Methyl 6-methyl-1,3-benzothiazole-2-carboxylate,
Methyl 6-methylbenzo[d]thiazole-2-carboxylate,
2-Benzothiazolecarboxylic acid, 6-methyl-, methyl ester,
GEO-04028,
MFCD22373213,
ZINC75852262,
AKOS023100620,
CS-0036187,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number