725217-84-5
4-ETHYL-5-[1-(4-FLUOROPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-ETHYL-5-[1-(4-FLUOROPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-ETHYL-5-[1-(4-FLUOROPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04138269
【English Synonyms】
【Formula】
C12 H14 F N3 O S
【MolWeight】
267.327
【Inchi】
InChI=1S/C12H14FN3OS/c1-3-16-11(14-15-12(16)18)8(2)17-10-6-4-9(13)5-7-10/h4-8H,3H2,1-2H3,(H,15,18)
【InChIKey】
InChIKey=LRZFYXLDPCBIEJ-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)C(C)Oc2ccc(cc2)F
【MOL File】
4-ETHYL-5-[1-(4-FLUO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ETHYL-5-[1-(4-FLUOROPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml