477857-32-2
2-(4-METHOXYPHENYL)-5-(OCTYLSULFANYL)-1,3,4-OXADIAZOLE
Name2-(4-METHOXYPHENYL)-5-(OCTYLSULFANYL)-1,3,4-OXADIAZOLE
1Identification
【Name】
2-(4-METHOXYPHENYL)-5-(OCTYLSULFANYL)-1,3,4-OXADIAZOLE
【CAS】
【MDL】
MFCD02082767
【English Synonyms】
【Formula】
C17 H24 N2 O2 S
【MolWeight】
320.455
【Inchi】
InChI=1S/C17H24N2O2S/c1-3-4-5-6-7-8-13-22-17-19-18-16(21-17)14-9-11-15(20-2)12-10-14/h9-12H,3-8,13H2,1-2H3
【InChIKey】
InChIKey=OHAKVJRWUOUFSW-UHFFFAOYSA-N
【SMILES】
CCCCCCCCSc1nnc(o1)c2ccc(cc2)OC
【MOL File】
2-(4-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-METHOXYPHENYL)-5-(OCTYLSULFANYL)-1,3,4-OXADIAZOLE.cml