532943-92-3
5-BROMO-2-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-BROMO-2-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC15 H10 Br2 N2 O3 S
1Identification
【Name】
5-BROMO-2-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03571100
【English Synonyms】
【Formula】
C15 H10 Br2 N2 O3 S
【MolWeight】
458.129
【Inchi】
InChI=1S/C15H10Br2N2O3S/c16-9-3-1-8(2-4-9)13(20)19-15(23)18-12-6-5-10(17)7-11(12)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=FMHXQVHEOHYQCY-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br)Br
【MOL File】
5-BROMO-2-[[[(4-BROM….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-[[[(4-BROMOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml