533921-40-3
3,5-DICHLORO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DICHLORO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC17 H14 Cl2 N2 O3 S
1Identification
【Name】
3,5-DICHLORO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569076
【English Synonyms】
【Formula】
C17 H14 Cl2 N2 O3 S
【MolWeight】
397.281
【Inchi】
InChI=1S/C17H14Cl2N2O3S/c1-8-3-4-10(5-9(8)2)15(22)21-17(25)20-14-12(16(23)24)6-11(18)7-13(14)19/h3-7H,1-2H3,(H,23,24)(H2,20,21,22,25)
【InChIKey】
InChIKey=AOFNLHFTZLBCBF-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)C(=O)NC(=S)Nc2c(cc(cc2Cl)Cl)C(=O)O
【MOL File】
3,5-DICHLORO-2-[[[(3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DICHLORO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml