579444-12-5
2-(((3-(2-F-PHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-4,6-DIIODOPHENOL
Name2-(((3-(2-F-PHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-4,6-DIIODOPHENOL
FormulaC15 H9 F I2 N4 O S
1Identification
【Name】
2-(((3-(2-F-PHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-4,6-DIIODOPHENOL
【CAS】
【MDL】
MFCD04032878
【English Synonyms】
【Formula】
C15 H9 F I2 N4 O S
【MolWeight】
566.127
【Inchi】
InChI=1S/C15H9FI2N4OS/c16-11-4-2-1-3-10(11)14-20-21-15(24)22(14)19-7-8-5-9(17)6-12(18)13(8)23/h1-7,23H,(H,21,24)/b19-7+
【InChIKey】
InChIKey=CSSMSPGOBRNBLO-FBCYGCLPSA-N
【SMILES】
c1ccc(c(c1)c2nnc(n2/N=C/c3cc(cc(c3O)I)I)S)F
【MOL File】
2-(((3-(2-F-PHENYL)-….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-(((3-(2-F-PHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-4,6-DIIODOPHENOL.cml