536981-10-9
3-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name3-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
pro_formulaC18 H17 Cl N2 O4 S
1Identification
【Name】
3-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03573581
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H17 Cl N2 O4 S
【pro_molWeight】
392.861
【Inchi】
InChI=1S/C18H17ClN2O4S/c1-10-8-12(6-7-14(10)19)25-9-16(22)21-18(26)20-15-5-3-4-13(11(15)2)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=ZQKAPHIIPZFWCP-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1Cl)OCC(=O)NC(=S)Nc2cccc(c2C)C(=O)O
【MOL File】
3-[[[[(4-CHLORO-3-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[[[[(4-CHLORO-3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml