530130-39-3
2-CHLORO-5-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-CHLORO-5-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formulaC18 H17 Cl N2 O4 S
1Identification
【Name】
2-CHLORO-5-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03563807
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H17 Cl N2 O4 S
【pro_molWeight】
392.861
【Inchi】
InChI=1S/C18H17ClN2O4S/c1-10-3-6-15(11(2)7-10)25-9-16(22)21-18(26)20-12-4-5-14(19)13(8-12)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=JPPKZPUOUCMVMR-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)OCC(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
【MOL File】
2-CHLORO-5-[[[[(2,4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-CHLORO-5-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml