536983-29-6
2-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name2-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
FormulaC15 H9 Cl I2 N2 O3 S
1Identification
【Name】
2-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03573653
【English Synonyms】
【Formula】
C15 H9 Cl I2 N2 O3 S
【MolWeight】
586.566
【Inchi】
InChI=1S/C15H9ClI2N2O3S/c16-11-3-1-7(17)5-9(11)13(21)20-15(24)19-12-4-2-8(18)6-10(12)14(22)23/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=VBPZKNBJKLPDHI-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1I)C(=O)O)NC(=S)NC(=O)c2cc(ccc2Cl)I
【MOL File】
2-[[[(2-CHLORO-5-IOD….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-[[[(2-CHLORO-5-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml