588673-44-3
4-METHYL-5-[1-(4-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-METHYL-5-[1-(4-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
pro_formulaC12 H15 N3 O S
1Identification
【Name】
4-METHYL-5-[1-(4-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03943463
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H15 N3 O S
【pro_molWeight】
249.337
【Inchi】
InChI=1S/C12H15N3OS/c1-8-4-6-10(7-5-8)16-9(2)11-13-14-12(17)15(11)3/h4-7,9H,1-3H3,(H,14,17)
【InChIKey】
InChIKey=IJHSPALLUGDQLM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)OC(C)c2nnc(n2C)S
【MOL File】
4-METHYL-5-[1-(4-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYL-5-[1-(4-METHYLPHENOXY)ETHYL]-4H-1,2,4-TRIAZOLE-3-THIOL.cml