| CAS Number | 1339071-24-7 |
| Catalog Number | AG019ZB4(AGN-PC-0WO8R7) |
| Chemical Name | 2-Amino-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| IUPAC Name | 2-amino-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxamide |
| InChI | InChI=1S/C11H16N2OS/c1-11(2)4-3-6-7(5-11)15-10(13)8(6)9(12)14/h3-5,13H2,1-2H3,(H2,12,14) |
| InChI Key | OIHXZTFULQKVOE-UHFFFAOYSA-N |
| MDL Number | MFCD20307067 |
| Molecular Formula | C11H16N2OS |
| Molecular Weight | 224.3225 |
| SMILES | CC1(CC2=C(C(=C(S2)N)C(N)=O)CC1)C |
| Synonyms | 2-amino-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide,
1339071-24-7,
AKOS013738979,
ZINC100445182,
MCULE-5892057472,
NE45046,
EN300-105210,
Z1416282410,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.322g/mol |
| Monoisotopic Mass | 224.098g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 97.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number