| CAS Number | 79932-22-2 |
| Catalog Number | AG00GAJL |
| Chemical Name | 6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine |
| IUPAC Name | 6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C9H14N2S/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-5H2,1-2H3,(H2,10,11) |
| InChI Key | XELVDVCUWODGKX-UHFFFAOYSA-N |
| MDL Number | MFCD20307066 |
| Molecular Formula | C9H14N2S |
| Molecular Weight | 182.2859 |
| SMILES | CC1(CC2=C(N=C(S2)N)CC1)C |
| Synonyms | 6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine,
79932-22-2,
SCHEMBL11228204,
ZINC39435259,
AKOS013740577,
Z2327883352,
6,6-Dimethyl-4,5,6,7-tetrahydro-benzothiazol-2-ylamine,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.285g/mol |
| Monoisotopic Mass | 182.088g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number