2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: 2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile|TimTec1_000582|Oprea1_656572|2-amino-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile|ZERO/000220|KS-00003HX7|3067AE|2-oxo-4-boc-1-piperazineacetic acid|BS-4423|NCGC00338510-01|BAS 06856422|2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile|BB 0245684|J2.860.506D|AB00276911-03|AK-777/09836055|BRD-A52006441-001-01-6|2-Amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile
| Molecular Formula | C13H18N2S |
|---|---|
| Molecular Weight | 234.11906 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.11906 |
| Monoisotopic Mass | 234.11906 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 42159-76-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)N |
| InChIKey | QDIYAWBTKKYATE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS 42159-76-2), with molecular formula C13H18N2S and molecular weight 234.11906 g/mol. IUPAC: 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.