3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole
3-(4-chlorophenyl)-5-(phenylsulfanylmethyl)-1,2-oxazole
Also Known As: KS-000039RA|5M-345S|3-(4-chlorophenyl)-5-[(phenylthio)methyl]isoxazole|3-(4-chlorophenyl)-5-[(phenylsulfanyl)methyl]isoxazole|3-(4-chlorophenyl)-5-(phenylsulfanylmethyl)-1,2-oxazole|3-(4-chlorophenyl)-5-[(phenylsulfanyl)methyl]-1,2-oxazole
CAS: 478048-79-2
| Molecular Formula | C16H12ClNOS |
|---|---|
| Molecular Weight | 301.0328 g/mol |
| LogP | 5.2873 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0328 |
| Monoisotopic Mass | 301.0328 |
| Heavy Atoms | 20 |
| Complexity | 679.2113 |
Chemical Identifiers
| CAS Number | 478048-79-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-Chlorophenyl)-5-[(phenylthio)methyl]isoxazole (CAS 478048-79-2), with molecular formula C16H12ClNOS and molecular weight 301.0328 g/mol. IUPAC: 3-(4-chlorophenyl)-5-(phenylsulfanylmethyl)-1,2-oxazole.
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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