578006-04-9
2-ALLYL-6-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOL
Name2-ALLYL-6-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOL
1Identification
【Name】
2-ALLYL-6-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOL
【CAS】
【MDL】
MFCD04023904
【English Synonyms】
【Formula】
C18 H15 F N4 O S
【MolWeight】
354.408
【Inchi】
InChI=1S/C18H15FN4OS/c1-2-6-12-7-5-8-13(16(12)24)11-20-23-17(21-22-18(23)25)14-9-3-4-10-15(14)19/h2-5,7-11,24H,1,6H2,(H,22,25)/b20-11+
【InChIKey】
InChIKey=UUSTXMITEPWKEV-RGVLZGJSSA-N
【SMILES】
C=CCc1cccc(c1O)/C=N/n2c(nnc2S)c3ccccc3F
【MOL File】
2-ALLYL-6-(((3-(2-FL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-ALLYL-6-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)PHENOL.cml