| CAS Number | 1376224-89-3 |
| Catalog Number | AG019U10(AGN-PC-0WO7RX) |
| Chemical Name | (5,5-Dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine |
| IUPAC Name | (5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)methanamine |
| InChI | InChI=1S/C11H17NS/c1-11(2)4-3-10-8(6-11)5-9(7-12)13-10/h5H,3-4,6-7,12H2,1-2H3 |
| InChI Key | QFTHGGBSIUUZJT-UHFFFAOYSA-N |
| MDL Number | MFCD22056515 |
| Molecular Formula | C11H17NS |
| Molecular Weight | 195.3244 |
| SMILES | CC1(CC2=C(SC(=C2)CN)CC1)C |
| Synonyms | (5,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine,
1376224-89-3,
ZINC72312142,
AKOS026728608,
MCULE-8556904848,
NE54489,
Z1340493788,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.324g/mol |
| Monoisotopic Mass | 195.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number