110623-40-0
3H-1,2,4-TRIAZOLE-3-THIONE, 2,4-DIHYDRO-5-(1,3-BENZODIOXOL-5-YL)-2,4-D IMETHYL-
Name3H-1,2,4-TRIAZOLE-3-THIONE, 2,4-DIHYDRO-5-(1,3-BENZODIOXOL-5-YL)-2,4-D IMETHYL-
pro_formulaC11 H11 N3 O2 S
1Identification
【Name】
3H-1,2,4-TRIAZOLE-3-THIONE, 2,4-DIHYDRO-5-(1,3-BENZODIOXOL-5-YL)-2,4-D IMETHYL-
【CAS】
【MDL】
MFCD01761096
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H11 N3 O2 S
【pro_molWeight】
249.293
【Inchi】
InChI=1S/C11H11N3O2S/c1-13-10(12-14(2)11(13)17)7-3-4-8-9(5-7)16-6-15-8/h3-5H,6H2,1-2H3
【InChIKey】
InChIKey=VWCOOYWSPUKLGH-UHFFFAOYSA-N
【SMILES】
Cn1c(nn(c1=S)C)c2ccc3c(c2)OCO3
【MOL File】
3H-1,2,4-TRIAZOLE-3-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3H-1,2,4-TRIAZOLE-3-THIONE, 2,4-DIHYDRO-5-(1,3-BENZODIOXOL-5-YL)-2,4-D IMETHYL-.cml