531545-47-8
3,5-DIBROMO-2-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DIBROMO-2-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC15 H9 Br3 N2 O3 S
1Identification
【Name】
3,5-DIBROMO-2-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566544
【English Synonyms】
【Formula】
C15 H9 Br3 N2 O3 S
【MolWeight】
537.025
【Inchi】
InChI=1S/C15H9Br3N2O3S/c16-8-3-1-7(2-4-8)13(21)20-15(24)19-12-10(14(22)23)5-9(17)6-11(12)18/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=YHUPCIDTIGIULC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O)Br
【MOL File】
3,5-DIBROMO-2-[[[(4-….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-DIBROMO-2-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml