588673-53-4
5-[1-(4-CHLORO-2-METHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(4-CHLORO-2-METHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
pro_formulaC12 H14 Cl N3 O S
1Identification
【Name】
5-[1-(4-CHLORO-2-METHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943472
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H14 Cl N3 O S
【pro_molWeight】
283.782
【Inchi】
InChI=1S/C12H14ClN3OS/c1-7-6-9(13)4-5-10(7)17-8(2)11-14-15-12(18)16(11)3/h4-6,8H,1-3H3,(H,15,18)
【InChIKey】
InChIKey=FPEPBEYRTZLFDV-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OC(C)c2nnc(n2C)S)Cl
【MOL File】
5-[1-(4-CHLORO-2-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-[1-(4-CHLORO-2-METHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml