530134-78-2
3-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name3-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
FormulaC17 H14 Cl2 N2 O4 S
1Identification
【Name】
3-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03564193
【English Synonyms】
【Formula】
C17 H14 Cl2 N2 O4 S
【MolWeight】
413.28
【Inchi】
InChI=1S/C17H14Cl2N2O4S/c1-9-11(16(23)24)3-2-4-13(9)20-17(26)21-15(22)8-25-14-6-5-10(18)7-12(14)19/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=GIJQNNRQALEIJX-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)COc2ccc(cc2Cl)Cl)C(=O)O
【MOL File】
3-[[[[(2,4-DICHLOROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml