551921-26-7
3-(4-METHOXYPHENYL)-5-[(PHENYLSULFANYL)METHYL]ISOXAZOLE
Name3-(4-METHOXYPHENYL)-5-[(PHENYLSULFANYL)METHYL]ISOXAZOLE
1Identification
【Name】
3-(4-METHOXYPHENYL)-5-[(PHENYLSULFANYL)METHYL]ISOXAZOLE
【CAS】
【MDL】
MFCD02083444
【English Synonyms】
【Formula】
C17 H15 N O2 S
【MolWeight】
297.376
【Inchi】
InChI=1S/C17H15NO2S/c1-19-14-9-7-13(8-10-14)17-11-15(20-18-17)12-21-16-5-3-2-4-6-16/h2-11H,12H2,1H3
【InChIKey】
InChIKey=PWKJBIKBEYIDCX-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)c2cc(on2)CSc3ccccc3
【MOL File】
3-(4-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-METHOXYPHENYL)-5-[(PHENYLSULFANYL)METHYL]ISOXAZOLE.cml