Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38783
Common Name:	Dimethyldisulfide
Systematic Name:	(methyldisulfanyl)methane
RefMet Name:	Dimethyldisulfide
Synonyms:	[PubChem Synonyms]
Exact Mass:	93.9911 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C2H6S2
InChIKey:	WQOXQRCZOLPYPM-UHFFFAOYSA-N
ClassyFire superclass:	Organosulfur compounds [C0000004]
ClassyFire class:	Organic disulfides [C0002800]
ClassyFire subclass:	Dialkyldisulfides [C0004089]
ClassyFire direct parent:	Dialkyldisulfides [C0004089]
MoNA MS spectra:	View MS spectra
SMILES:	CSSC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	12232
CHEBI ID:	4608
HMDB ID:	HMDB0005879
KEGG ID:	C08371
Chemspider ID:	11731
MetaCyc ID:	CPD-8529
Plant Metabolite Hub(Pmhub):	MS000019861

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