N-[2-(methylsulfanyl)phenyl]-1-oxo-1H-isochromene-3-carboxamide
N-(2-methylsulfanylphenyl)-1-oxoisochromene-3-carboxamide
Also Known As: N-(2-methylsulfanylphenyl)-1-oxoisochromene-3-carboxamide|N-(2-(methylthio)phenyl)-1-oxo-1H-isochromene-3-carboxamide|N-[2-(methylsulfanyl)phenyl]-1-oxo-1H-isochromene-3-carboxamide
CAS: 879583-83-2
| Molecular Formula | C17H13NO3S |
|---|---|
| Molecular Weight | 311.0616 g/mol |
| LogP | 3.7672 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0616 |
| Monoisotopic Mass | 311.0616 |
| Heavy Atoms | 22 |
| Complexity | 901.5447 |
Chemical Identifiers
| CAS Number | 879583-83-2 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=O)O2 |
Product Overview
N-[2-(methylsulfanyl)phenyl]-1-oxo-1H-isochromene-3-carboxamide (CAS 879583-83-2), with molecular formula C17H13NO3S and molecular weight 311.0616 g/mol. IUPAC: N-(2-methylsulfanylphenyl)-1-oxoisochromene-3-carboxamide.
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.
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