| Common Name |
2-(2-Thienyl)furan
| Description |
2-(2-Thienyl)furan is a component of yeast extract volatiles and cooked meat flavour model systems2-(2-thienyl)furan belongs to the family of Thiophenes. These are compounds containing a five-member aromatic compound made up of one slifur atom and four carbon atoms.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29715 (2-(2-Thienyl)furan)
| Synonyms |
| Value |
Source |
2-(2-Furanyl)thiopheneHMDB
| Chemical Formlia |
C8H6OS
| Average Molecliar Weight |
150.198
| Monoisotopic Molecliar Weight |
150.013935504
| IUPAC Name |
2-(thiophen-2-yl)furan
| Traditional Name |
2-(thiophen-2-yl)furan
| CAS Registry Number |
27521-80-8
| SMILES |
O1C=CC=C1C1=CC=CS1
| InChI Identifier |
InChI=1S/C8H6OS/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
| InChI Key |
RVYKTPRETIBSPK-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
| Kingdom |
Organic compounds
| Super Class |
Organoheterocyclic compounds
| Class |
Heteroaromatic compounds
| Sub Class |
Not Available
| Direct Parent |
Heteroaromatic compounds
| Alternative Parents |
Thiophenes
Furans
Oxacyclic compounds
Organooxygen compounds
Hydrocarbon derivatives
| Substituents |
Heteroaromatic compound
Thiophene
Furan
Oxacycle
Hydrocarbon derivative
Organooxygen compound
Aromatic heteromonocyclic compound
| Molecliar Framework |
Aromatic heteromonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.12 mg/mLALOGPS
logP3.05ALOGPS
logP2.46ChemAxon
logS-3.1ALOGPS
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area13.14 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity40.48 m3·mol-1ChemAxon
Polarizability15.41 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000909
| KNApSAcK ID |
Not Available
| Chemspider ID |
458712
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29715
| Metagene Link |
HMDB29715
| METLIN ID |
Not Available
| PubChem Compound |
526176
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: BML-284
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 10591873