891632-80-7
1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-(4-NITROPHENYL)THIOSEMICARBAZIDE
Name1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-(4-NITROPHENYL)THIOSEMICARBAZIDE
pro_formulaC17 H18 N4 O4 S
1Identification
【Name】
1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-(4-NITROPHENYL)THIOSEMICARBAZIDE
【CAS】
【MDL】
MFCD01567594
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H18 N4 O4 S
【pro_molWeight】
374.419
【Inchi】
InChI=1S/C17H18N4O4S/c1-11-3-8-15(12(2)9-11)25-10-16(22)19-20-17(26)18-13-4-6-14(7-5-13)21(23)24/h3-9H,10H2,1-2H3,(H,19,22)(H2,18,20,26)
【InChIKey】
InChIKey=FDAKMRRIGCZIEW-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)OCC(=O)NNC(=S)Nc2ccc(cc2)[N+](=O)[O-]
【MOL File】
1-(2-(2,4-DIMETHYLPH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:8
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-(4-NITROPHENYL)THIOSEMICARBAZIDE.cml