588673-95-4
4-ETHYL-5-[1-(3-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-ETHYL-5-[1-(3-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
pro_formulaC13 H17 N3 O S
1Identification
【Name】
4-ETHYL-5-[1-(3-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943520
【EnglishSynonyms】
【pro_formula】
C13 H17 N3 O S
【pro_molWeight】
263.363
【Inchi】
InChI=1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)10(3)17-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,15,18)
【InChIKey】
InChIKey=FJCHRBAMRPZFPB-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)C(C)Oc2cccc(c2)C
【MOL File】
4-ETHYL-5-[1-(3-METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-ETHYL-5-[1-(3-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml