| CAS Number | 1369135-69-2 |
| Catalog Number | AG01DQSR |
| Chemical Name | 2-bromo-6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole |
| IUPAC Name | 2-bromo-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazole |
| InChI | InChI=1S/C9H12BrNS/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-5H2,1-2H3 |
| InChI Key | WFTILCWJUXYCIR-UHFFFAOYSA-N |
| MDL Number | MFCD22033877 |
| Molecular Formula | C9H12BrNS |
| Molecular Weight | 246.1673 |
| SMILES | CC1(CC2=C(N=C(S2)Br)CC1)C |
| Synonyms | 2-bromo-6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole,
1369135-69-2,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.166g/mol |
| Monoisotopic Mass | 244.987g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number