2-Ethynyl-1,3-benzothiazole
2-ethynyl-1,3-benzothiazole
Also Known As: 2-ethynyl-1,3-benzothiazole|2-ethynylbenzothiazole|2-ethynylbenzo[d]thiazole|2-ethynyl-benzo[d]thiazole|benzothiazole, 2-ethynyl-|Benzothiazole, 2-ethynyl- (9CI)|J1.136.078E|F2167-5012|887-836-7
CAS: 40176-80-5
| Molecular Formula | C9H5NS |
|---|---|
| Molecular Weight | 159.01427 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.01427 |
| Monoisotopic Mass | 159.01427 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 40176-80-5 |
|---|---|
| SMILES | C#CC1=NC2=CC=CC=C2S1 |
| InChIKey | ZLVCPVCGNOKHRF-UHFFFAOYSA-N |
Product Overview
2-Ethynyl-1,3-benzothiazole (CAS 40176-80-5), with molecular formula C9H5NS and molecular weight 159.01427 g/mol. IUPAC: 2-ethynyl-1,3-benzothiazole.
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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