| CAS Number | 1453117-17-3 |
| Catalog Number | AG01AFU8 |
| Chemical Name | tert-butyl 2-amino-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| IUPAC Name | tert-butyl 2-amino-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylate |
| InChI | InChI=1S/C15H23NO2S/c1-14(2,3)18-13(17)11-9-6-7-15(4,5)8-10(9)19-12(11)16/h6-8,16H2,1-5H3 |
| InChI Key | UHGIJBKLNXBFLV-UHFFFAOYSA-N |
| MDL Number | MFCD25239038 |
| Molecular Formula | C15H23NO2S |
| Molecular Weight | 281.4136 |
| SMILES | O=C(C1=C(N)SC2=C1CCC(C)(C)C2)OC(C)(C)C |
| Synonyms | tert-butyl 2-amino-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate,
1453117-17-3,
ZINC95884012,
AKOS020805343,
NE36960,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.414g/mol |
| Monoisotopic Mass | 281.145g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number