2-(3,5-Dimethylthiophen-2-yl)acetonitrile
2-(3,5-dimethylthiophen-2-yl)acetonitrile
Also Known As: 2-(3,5-dimethylthiophen-2-yl)acetonitrile|(3,5-dimethylthiophen-2-yl)acetonitrile|3,5-dimethylthiopheneacetonitrile|KST-1A7618|2-Thiopheneacetonitrile,3,5-dimethyl-
CAS: 6947-68-8
| Molecular Formula | C8H9NS |
|---|---|
| Molecular Weight | 151.04558 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.04558 |
| Monoisotopic Mass | 151.04558 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 6947-68-8 |
|---|---|
| SMILES | CC1=CC(=C(S1)CC#N)C |
| InChIKey | PSFRTUWUXSRDOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (12 patents)
Pharmaceutical Intermediates (6 patents)
Product Overview
2-(3,5-Dimethylthiophen-2-yl)acetonitrile (CAS 6947-68-8), with molecular formula C8H9NS and molecular weight 151.04558 g/mol. IUPAC: 2-(3,5-dimethylthiophen-2-yl)acetonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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