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CAS 207233-90-7

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Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-isothiocyanato-, sodium salt, hydrate (1:2:?)

Description:
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-isothiocyanato-, sodium salt, hydrate (1:2:?) is a chemical compound characterized by its sulfonic acid group and isothiocyanate functionalities. This compound typically exhibits high solubility in water due to the presence of the sodium salt, which enhances its ionic nature. The isothiocyanate groups are known for their reactivity, particularly in nucleophilic substitution reactions, making this compound useful in various synthetic applications. The presence of the ethylene bridge indicates a degree of structural rigidity, which can influence its reactivity and interactions with other molecules. As a hydrate, it contains water molecules in its crystalline structure, which can affect its stability and solubility. This compound may be utilized in research and industrial applications, particularly in the fields of organic synthesis and materials science, due to its unique chemical properties. Safety precautions should be observed when handling this compound, as isothiocyanates can be toxic and irritative.
Formula:C16H10N2O6S4·xH2O·2Na
InChI:InChI=1S/C16H10N2O6S4.2Na.H2O/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);;;1H2
InChI key:InChIKey=GRQQNLHLPGGQFI-UHFFFAOYSA-N
SMILES:C(=CC1=C(S(=O)(=O)O)C=C(N=C=S)C=C1)C2=C(S(=O)(=O)O)C=C(N=C=S)C=C2.[Na].O
Synonyms:
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-isothiocyanato-, sodium salt, hydrate (1:2:?)
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-isothiocyanato-, disodium salt, hydrate
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