725217-88-9
4-ALLYL-5-[1-(4-FLUOROPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-ALLYL-5-[1-(4-FLUOROPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-ALLYL-5-[1-(4-FLUOROPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04138018
【English Synonyms】
【Formula】
C13 H14 F N3 O S
【MolWeight】
279.338
【Inchi】
InChI=1S/C13H14FN3OS/c1-3-8-17-12(15-16-13(17)19)9(2)18-11-6-4-10(14)5-7-11/h3-7,9H,1,8H2,2H3,(H,16,19)
【InChIKey】
InChIKey=ZONDTQRLTAZGFU-UHFFFAOYSA-N
【SMILES】
CC(c1nnc(n1CC=C)S)Oc2ccc(cc2)F
【MOL File】
4-ALLYL-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-ALLYL-5-[1-(4-FLUOROPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml