Isothiocyanates
IUPAC 名称
disodium 5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate
描述
Isothiocyanates is the chemical group –N=C=S, formed by substituting the oxygen in the isocyanate group with a sulfur. Many natural isothiocyanates from plants are produced by enzymatic conversion of metabolites called glucosinolates. These natural isothiocyanates, such as allyl isothiocyanate, are also known as mustard oils. An artificial isothiocyanate, phenyl isothiocyanate, is used for amino acid sequencing in the Edman degradation . Isothiocyanates is a member of the class of compounds known as sulfonated stilbenes. Sulfonated stilbenes are stilbenes that carry a sulfone group at one or more positions of either benzene rings. Isothiocyanates is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Isothiocyanates can be found in horseradish, which makes isothiocyanates a potential biomarker for the consumption of this food product.
异构
[Na+].[Na+].[O-]S(=O)(=O)C1=C(C=CC2=C(C=C(C=C2)N=C=S)S([O-])(=O)=O)C=CC(=C1)N=C=S
InChI标识符
InChI=1S/C16H10N2O6S4.2Na/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
键
GEPAYBXVXXBSKP-UHFFFAOYSA-L