Metabolomics Structure Database

 
MW REGNO: 45132
Common Name:Diphenyl disulfide
Systematic Name:(phenyldisulfanyl)benzene
Synonyms: [PubChem Synonyms]
Exact Mass:
218.0224 (neutral)    Calculate m/z:
Formula:C12H10S2
InChIKey:GUUVPOWQJOLRAS-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Benzene and substituted derivatives [C0002279]
ClassyFire direct parent:Aromatic homomonocyclic compounds
MoNA MS spectra:View MS spectra
SMILES:c1ccc(cc1)SSc1ccccc1
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:13436
HMDB ID:HMDB0031823
Chemspider ID:12861
EPA CompTox DB:DTXCID702131
Plant Metabolite Hub(Pmhub):MS000164914

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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