RefMet Compound Details

Created with Raphaƫl 2.1.0OSH
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0161188
RefMet name2-Furanmethanethiol
Systematic namefuran-2-ylmethanethiol
SynonymsPubChem Synonyms
Exact mass114.013937 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H6OSView other entries in RefMet with this formula
Molecular descriptors
Molfile45778 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
InChIKeyZFFTZDQKIXPDAF-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(CS)oc1
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassFurans
Sub ClassFurans
Distribution of 2-Furanmethanethiol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 2-Furanmethanethiol
External Links
Pubchem CID7363
ChEBI ID166536
HMDB IDHMDB0032915
Chemspider ID7085
PhytoHub DBPHUB002518
Spectral data for 2-Furanmethanethiol standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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