532422-77-8
3,5-DIIODO-2-[[[[3-(2-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DIIODO-2-[[[[3-(2-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC19 H18 I2 N2 O4 S
1Identification
【Name】
3,5-DIIODO-2-[[[[3-(2-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568301
【English Synonyms】
【Formula】
C19 H18 I2 N2 O4 S
【MolWeight】
624.227
【Inchi】
InChI=1S/C19H18I2N2O4S/c1-10(2)9-27-13-5-3-4-11(6-13)17(24)23-19(28)22-16-14(18(25)26)7-12(20)8-15(16)21/h3-8,10H,9H2,1-2H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=RZADAZUFGPGBEB-UHFFFAOYSA-N
【SMILES】
CC(C)COc1cccc(c1)C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
【MOL File】
3,5-DIIODO-2-[[[[3-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIIODO-2-[[[[3-(2-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml