535978-52-0
BENZOIC ACID, 3,5-DICHLORO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]
NameBENZOIC ACID, 3,5-DICHLORO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]
pro_formulaC20 H20 Cl2 N2 O4 S
1Identification
【Name】
BENZOIC ACID, 3,5-DICHLORO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]
【CAS】
【MDL】
MFCD03573159
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H20 Cl2 N2 O4 S
【pro_molWeight】
455.36
【Inchi】
InChI=1S/C20H20Cl2N2O4S/c1-10(2)13-5-4-11(3)6-16(13)28-9-17(25)23-20(29)24-18-14(19(26)27)7-12(21)8-15(18)22/h4-8,10H,9H2,1-3H3,(H,26,27)(H2,23,24,25,29)
【InChIKey】
InChIKey=DJXOPYJWZWJIAY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)OCC(=O)NC(=S)Nc2c(cc(cc2Cl)Cl)C(=O)O)C(C)C
【MOL File】
BENZOIC ACID, 3,5-DI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZOIC ACID, 3,5-DICHLORO-2-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO].cml