| CAS Number | 1880478-90-9 |
| Catalog Number | AG01DZ6L |
| Chemical Name | 6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole |
| IUPAC Name | 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazole |
| InChI | InChI=1S/C9H13NS/c1-9(2)4-3-7-8(5-9)11-6-10-7/h6H,3-5H2,1-2H3 |
| InChI Key | KAFKFAKYKJVADZ-UHFFFAOYSA-N |
| MDL Number | MFCD31617591 |
| Molecular Formula | C9H13NS |
| Molecular Weight | 167.2712 |
| SMILES | CC1(CC2=C(N=CS2)CC1)C |
| Synonyms | 6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole,
1880478-90-9,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.27g/mol |
| Monoisotopic Mass | 167.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number