530138-44-4
2-[[[(3,5-DIBROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-[[[(3,5-DIBROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC16 H12 Br2 N2 O4 S
1Identification
【Name】
2-[[[(3,5-DIBROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564357
【English Synonyms】
【Formula】
C16 H12 Br2 N2 O4 S
【MolWeight】
488.155
【Inchi】
InChI=1S/C16H12Br2N2O4S/c1-24-13-10(6-8(17)7-11(13)18)14(21)20-16(25)19-12-5-3-2-4-9(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=LXCWVINUNNHVAW-UHFFFAOYSA-N
【SMILES】
COc1c(cc(cc1Br)Br)C(=O)NC(=S)Nc2ccccc2C(=O)O
【MOL File】
2-[[[(3,5-DIBROMO-2-….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
2-[[[(3,5-DIBROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml