585555-78-8
2-(((3-(4-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
Name2-(((3-(4-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
1Identification
【Name】
2-(((3-(4-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL
【CAS】
【MDL】
MFCD04030151
【English Synonyms】
【Formula】
C15 H11 F N4 O S
【MolWeight】
314.343
【Inchi】
InChI=1S/C15H11FN4OS/c16-12-7-5-10(6-8-12)14-18-19-15(22)20(14)17-9-11-3-1-2-4-13(11)21/h1-9,21H,(H,19,22)/b17-9+
【InChIKey】
InChIKey=SNLIBXRFNMRGRX-RQZCQDPDSA-N
【SMILES】
c1ccc(c(c1)/C=N/n2c(nnc2S)c3ccc(cc3)F)O
【MOL File】
2-(((3-(4-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
2-(((3-(4-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL.cml