RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0161188 | |
---|---|---|
RefMet name | 2-Furanmethanethiol | |
Systematic name | furan-2-ylmethanethiol | |
Synonyms | PubChem Synonyms | |
Exact mass | 114.013937 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
Formula | C5H6OS | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 45778 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2 | |
InChIKey | ZFFTZDQKIXPDAF-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | c1cc(CS)oc1
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Organoheterocyclic compounds | |
Main Class | Furans | |
Sub Class | Furans | |
Distribution of 2-Furanmethanethiol in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Studies | NMDR Studies reporting 2-Furanmethanethiol | |
External Links | ||
Pubchem CID | 7363 | |
ChEBI ID | 166536 | |
HMDB ID | HMDB0032915 | |
Chemspider ID | 7085 | |
PhytoHub DB | PHUB002518 | |
Spectral data for 2-Furanmethanethiol standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |