588674-00-4
5-[1-(4-CHLORO-2-METHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(4-CHLORO-2-METHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
pro_formulaC13 H16 Cl N3 O S
1Identification
【Name】
5-[1-(4-CHLORO-2-METHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943526
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H16 Cl N3 O S
【pro_molWeight】
297.808
【Inchi】
InChI=1S/C13H16ClN3OS/c1-4-17-12(15-16-13(17)19)9(3)18-11-6-5-10(14)7-8(11)2/h5-7,9H,4H2,1-3H3,(H,16,19)
【InChIKey】
InChIKey=NIPWGMLIALRKCJ-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)C(C)Oc2ccc(cc2C)Cl
【MOL File】
5-[1-(4-CHLORO-2-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-[1-(4-CHLORO-2-METHYLPHENOXY)ETHYL]-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml