877977-57-6
5-([3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]METHYL)-1,3,4-OXADIAZOLE-2-THIOL
Name5-([3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]METHYL)-1,3,4-OXADIAZOLE-2-THIOL
1Identification
【Name】
5-([3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]METHYL)-1,3,4-OXADIAZOLE-2-THIOL
【CAS】
【MDL】
MFCD06660506
【English Synonyms】
【Formula】
C7 H5 F3 N4 O S
【MolWeight】
250.204
【Inchi】
InChI=1S/C7H5F3N4OS/c8-7(9,10)4-1-2-14(13-4)3-5-11-12-6(16)15-5/h1-2H,3H2,(H,12,16)
【InChIKey】
InChIKey=SNIUHPXTJFYEJC-UHFFFAOYSA-N
【SMILES】
c1cn(nc1C(F)(F)F)Cc2nnc(o2)S
【MOL File】
5-([3-(TRIFLUOROMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-([3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]METHYL)-1,3,4-OXADIAZOLE-2-THIOL.cml