531515-71-6
2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name
2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Formula
C15 H11 I N2 O4 S
MolWeight
442.228
1Identification
【Name】
2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03565509
【English Synonyms】
【Formula】
C15 H11 I N2 O4 S
【MolWeight】
442.228
【Inchi】
InChI=1S/C15H11IN2O4S/c16-9-3-5-12(11(8-9)14(20)21)17-15(23)18-13(19)6-4-10-2-1-7-22-10/h1-8H,(H,20,21)(H2,17,18,19,23)/b6-4+
【InChIKey】
InChIKey=BELYNRVWOINEQM-GQCTYLIASA-N
【SMILES】
c1cc(oc1)/C=C/C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml
Quick Release
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Catalog No:U78012 nullnull
Country/Region:United States
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