532948-18-8
3,5-DIBROMO-2-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DIBROMO-2-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formulaC18 H16 Br2 N2 O4 S
1Identification
【Name】
3,5-DIBROMO-2-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573848
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H16 Br2 N2 O4 S
【pro_molWeight】
516.208
【Inchi】
InChI=1S/C18H16Br2N2O4S/c1-9-3-4-12(5-10(9)2)26-8-15(23)21-18(27)22-16-13(17(24)25)6-11(19)7-14(16)20/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=VDQXVDCAXUKEQT-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)OCC(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
【MOL File】
3,5-DIBROMO-2-[[[[(3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3,5-DIBROMO-2-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml