577765-34-5
4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
Name4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
1Identification
【Name】
4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
【CAS】
【MDL】
MFCD04018991
【English Synonyms】
【Formula】
C15 H11 F N4 O S
【MolWeight】
314.343
【Inchi】
InChI=1S/C15H11FN4OS/c16-13-4-2-1-3-12(13)14-18-19-15(22)20(14)17-9-10-5-7-11(21)8-6-10/h1-9,21H,(H,19,22)/b17-9+
【InChIKey】
InChIKey=UKORCCOZHSIUAD-RQZCQDPDSA-N
【SMILES】
c1ccc(c(c1)c2nnc(n2/N=C/c3ccc(cc3)O)S)F
【MOL File】
4-(((3-(2-FLUOROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL.cml