| CAS Number | 1461715-47-8 |
| Catalog Number | AG01A6PJ |
| Chemical Name | 6,6-dimethyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine |
| IUPAC Name | (2-amino-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-3-yl)-(4-methylphenyl)methanone |
| InChI | InChI=1S/C18H21NOS/c1-11-4-6-12(7-5-11)16(20)15-13-8-9-18(2,3)10-14(13)21-17(15)19/h4-7H,8-10,19H2,1-3H3 |
| InChI Key | YLLLRGILMRXIMY-UHFFFAOYSA-N |
| MDL Number | MFCD26407605 |
| Molecular Formula | C18H21NOS |
| Molecular Weight | 299.4304 |
| SMILES | CC1=CC=C(C(C2C3=C(CC(CC3)(C)C)SC=2N)=O)C=C1 |
| Synonyms | 6,6-dimethyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine,
1461715-47-8,
ZINC95829007,
AKOS033529745,
MCULE-3863169235,
NE22322,
Z1675167215,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.432g/mol |
| Monoisotopic Mass | 299.134g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number