CAS 1007478-52-5: Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, sodium salt (1:1)

Description:Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, sodium salt (1:1), identified by CAS number 1007478-52-5, is a complex organic compound characterized by its unique structural features, including a phenolic backbone and a benzoxathiol moiety. This compound exhibits significant bromination, which enhances its reactivity and potential applications in various fields, including materials science and pharmaceuticals. The presence of the sodium salt form indicates its solubility in water, making it suitable for various aqueous applications. The dioxido group contributes to its chemical stability and may influence its interaction with biological systems. Additionally, the compound's structure suggests potential antimicrobial or antifungal properties, which could be explored in medicinal chemistry. Overall, this substance represents a specialized class of phenolic compounds with diverse applications, driven by its unique chemical properties and structural characteristics. Further studies would be necessary to fully elucidate its behavior in different environments and potential uses in industry or research.

Formula:C₂₁H₁₄Br₄O₅S·Na

InChI:InChI=1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;/h3-8,26-27H,1-2H3;

InChI key:InChIKey=XOIIELZXZPXPQP-UHFFFAOYSA-N

SMILES:[Na].O=S1(=O)OC(C=2C=CC=CC21)(C3=CC(Br)=C(O)C(Br)=C3C)C4=CC(Br)=C(O)C(Br)=C4C

Synonyms:
Bromocresol Green sodium
Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, sodium salt (1:1)
3H-2,1-Benzoxathiole, phenol deriv.
Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, monosodium salt
Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide, monosodium salt