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1(3H)-Isobenzofuranone, 3-[[1,1-dimethyl-2-(methylthio)ethyl]imino]-4-iodo- structure

1(3H)-Isobenzofuranone, 3-[[1,1-dimethyl-2-(methylthio)ethyl]imino]-4-iodo-
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1. Names and Identifiers
1.1 Name
1(3H)-Isobenzofuranone, 3-[[1,1-dimethyl-2-(methylthio)ethyl]imino]-4-iodo-
1.2 CAS No.
474558-55-9
1.4 Molecular Formula
C13H14INO2S
1.5 Inchi
InChI=1S/C13H14INO2S/c1-13(2,7-18-3)15-11-10-8(12(16)17-11)5-4-6-9(10)14/h4-6H,7H2,1-3H3/b15-11-
1.6 InChkey
AWEUVSHAFMKAJU-PTNGSMBKSA-N
1.7 Canonical Smiles
CSCC(C)(C)N=C1OC(=O)C2=C1C(I)=CC=C2
2. Properties
2.1 pKa
1.96±0.20(Predicted)
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