| CAS Number | 1245128-31-7 |
| Catalog Number | AG01DSYQ |
| Chemical Name | 2-Bromo-6-Methyl-4,5,6,7-Tetrahydro-1,3-Benzothiazole |
| IUPAC Name | 2-bromo-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole |
| InChI | InChI=1S/C8H10BrNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3 |
| InChI Key | CIBOTBULJGEUMO-UHFFFAOYSA-N |
| MDL Number | MFCD17178659 |
| Molecular Formula | C8H10BrNS |
| Molecular Weight | 232.1407 |
| SMILES | CC(C1)CCC2=C1SC(Br)=N2 |
| Synonyms | 2-BROMO-6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE,
1245128-31-7,
AKOS016052437,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.139g/mol |
| Monoisotopic Mass | 230.972g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number