725217-86-7
5-[1-(4-FLUOROPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(4-FLUOROPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-[1-(4-FLUOROPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04138065
【English Synonyms】
【Formula】
C11 H12 F N3 O S
【MolWeight】
253.3
【Inchi】
InChI=1S/C11H12FN3OS/c1-7(10-13-14-11(17)15(10)2)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,14,17)
【InChIKey】
InChIKey=NZSMGJBFIRXGBF-UHFFFAOYSA-N
【SMILES】
CC(c1nnc(n1C)S)Oc2ccc(cc2)F
【MOL File】
5-[1-(4-FLUOROPHENOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[1-(4-FLUOROPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml