13724-21-5
5'-AMINO-2'-(OCTYLOXY)ACETOPHENONE THIOSEMICARBAZONE
Name5'-AMINO-2'-(OCTYLOXY)ACETOPHENONE THIOSEMICARBAZONE
1Identification
【Name】
5'-AMINO-2'-(OCTYLOXY)ACETOPHENONE THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD01673091
【English Synonyms】
【Formula】
C17 H28 N4 O S
【MolWeight】
336.501
【Inchi】
InChI=1S/C17H28N4OS/c1-3-4-5-6-7-8-11-22-16-10-9-14(18)12-15(16)13(2)20-21-17(19)23/h9-10,12H,3-8,11,18H2,1-2H3,(H3,19,21,23)/b20-13+
【InChIKey】
InChIKey=MAGLAWWHGUHGCI-DEDYPNTBSA-N
【SMILES】
CCCCCCCCOc1ccc(cc1/C(=N/NC(=S)N)/C)N
【MOL File】
5'-AMINO-2'-(OCTYLOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5'-AMINO-2'-(OCTYLOXY)ACETOPHENONE THIOSEMICARBAZONE.cml