535977-24-3
2-CHLORO-5-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-CHLORO-5-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC15 H9 Cl I2 N2 O3 S
1Identification
【Name】
2-CHLORO-5-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573045
【English Synonyms】
【Formula】
C15 H9 Cl I2 N2 O3 S
【MolWeight】
586.566
【Inchi】
InChI=1S/C15H9ClI2N2O3S/c16-11-3-2-8(6-9(11)14(22)23)19-15(24)20-13(21)10-5-7(17)1-4-12(10)18/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=WCDYLINSIBHDSA-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1NC(=S)NC(=O)c2cc(ccc2I)I)C(=O)O)Cl
【MOL File】
2-CHLORO-5-[[[(2,5-D….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
2-CHLORO-5-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml