530131-95-4
5-BROMO-2-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-BROMO-2-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC19 H13 Br N2 O3 S
1Identification
【Name】
5-BROMO-2-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03563952
【English Synonyms】
【Formula】
C19 H13 Br N2 O3 S
【MolWeight】
429.293
【Inchi】
InChI=1S/C19H13BrN2O3S/c20-14-7-8-16(15(10-14)18(24)25)21-19(26)22-17(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,24,25)(H2,21,22,23,26)
【InChIKey】
InChIKey=HYEXNWGZUHKTLO-UHFFFAOYSA-N
【SMILES】
c1ccc2cc(ccc2c1)C(=O)NC(=S)Nc3ccc(cc3C(=O)O)Br
【MOL File】
5-BROMO-2-[[[(2-NAPH….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
5-BROMO-2-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml