530133-68-7
5-BROMO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-BROMO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC17 H15 Br N2 O3 S
1Identification
【Name】
5-BROMO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564097
【English Synonyms】
【Formula】
C17 H15 Br N2 O3 S
【MolWeight】
407.286
【Inchi】
InChI=1S/C17H15BrN2O3S/c1-9-3-4-11(7-10(9)2)15(21)20-17(24)19-14-6-5-12(18)8-13(14)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=BNIIURZGWYHOHQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
【MOL File】
5-BROMO-2-[[[(3,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml