587007-03-2
5-(4-F-PH)-4-(((5-METHYL-2-FURYL)METHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(4-F-PH)-4-(((5-METHYL-2-FURYL)METHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(4-F-PH)-4-(((5-METHYL-2-FURYL)METHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04032340
【English Synonyms】
【Formula】
C14 H11 F N4 O S
【MolWeight】
302.332
【Inchi】
InChI=1S/C14H11FN4OS/c1-9-2-7-12(20-9)8-16-19-13(17-18-14(19)21)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,18,21)/b16-8+
【InChIKey】
InChIKey=YPTYWUWKZKEODZ-LZYBPNLTSA-N
【SMILES】
Cc1ccc(o1)/C=N/n2c(nnc2S)c3ccc(cc3)F
【MOL File】
5-(4-F-PH)-4-(((5-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-F-PH)-4-(((5-METHYL-2-FURYL)METHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL.cml