588673-46-5
5-[1-(3,5-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-[1-(3,5-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
pro_formulaC13 H17 N3 O S
1Identification
【Name】
5-[1-(3,5-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943465
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H17 N3 O S
【pro_molWeight】
263.363
【Inchi】
InChI=1S/C13H17N3OS/c1-8-5-9(2)7-11(6-8)17-10(3)12-14-15-13(18)16(12)4/h5-7,10H,1-4H3,(H,15,18)
【InChIKey】
InChIKey=LJDJGXJZJMRNNA-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)OC(C)c2nnc(n2C)S)C
【MOL File】
5-[1-(3,5-DIMETHYLPH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-[1-(3,5-DIMETHYLPHENOXY)ETHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml