| CAS Number | 1017345-80-0 |
| Catalog Number | AG01DX6K |
| Chemical Name | 1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethan-1-amine |
| IUPAC Name | 1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine |
| InChI | InChI=1S/C10H16N2S/c1-6-3-4-8-9(5-6)13-10(12-8)7(2)11/h6-7H,3-5,11H2,1-2H3 |
| InChI Key | LVFYXTBQIWFXSH-UHFFFAOYSA-N |
| MDL Number | MFCD09891369 |
| Molecular Formula | C10H16N2S |
| Molecular Weight | 196.3124 |
| SMILES | CC(C1SC2=C(CCC(C2)C)N=1)N |
| Synonyms | 1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethan-1-amine,
1017345-80-0,
AKOS010591112,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.312g/mol |
| Monoisotopic Mass | 196.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number