Oprea1_494214
ethyl 2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_494214|SR-01000438509-1|ethyl 2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(3-phenylpropiolamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[(3-phenylprop-2-ynoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS: 312940-13-9
| Molecular Formula | C20H19NO3S |
|---|---|
| Molecular Weight | 353.10855 g/mol |
| LogP | 3.7938 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.10855 |
| Monoisotopic Mass | 353.10855 |
| Heavy Atoms | 25 |
| Complexity | 843.0616 |
Chemical Identifiers
| CAS Number | 312940-13-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C#CC3=CC=CC=C3 |
Product Overview
Oprea1_494214 (CAS 312940-13-9), with molecular formula C20H19NO3S and molecular weight 353.10855 g/mol. IUPAC: ethyl 2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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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