| CAS Number | 412923-48-9 |
| Catalog Number | AG00C8Y6 |
| Chemical Name | 2-Bromo-4,6-dimethyl-1,3-benzothiazole |
| IUPAC Name | 2-bromo-4,6-dimethyl-1,3-benzothiazole |
| InChI | InChI=1S/C9H8BrNS/c1-5-3-6(2)8-7(4-5)12-9(10)11-8/h3-4H,1-2H3 |
| InChI Key | VLDMIYNOGFWHSB-UHFFFAOYSA-N |
| MDL Number | MFCD09748584 |
| Molecular Formula | C9H8BrNS |
| Molecular Weight | 242.1355 |
| SMILES | CC1=CC2=C(N=C(S2)Br)C(C)=C1 |
| Synonyms | 2-Bromo-4,6-dimethylbenzo[d]thiazole,
412923-48-9,
2-bromo-4,6-dimethyl-1,3-benzothiazole,
2-BROMO-4,6-DIMETHYLBENZOTHIAZOLE,
CTK8I6623,
ZINC11920208,
2-Bromo-4,6-dimethylbenzo[d]thiazole, 97% - 10MG 10mg,
N/A,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.134g/mol |
| Monoisotopic Mass | 240.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number