Record Information |
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Version | 1.0 |
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Creation date | 2011-09-26 22:53:14 UTC |
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Update date | 2015-07-21 06:59:50 UTC |
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Primary ID | FDB029635 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | tetrahydrothiophene |
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Description | tetrahydrothiophene, also known as tetramethylene sulfide or thiacyclopentane, belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. tetrahydrothiophene exists in all living organisms, ranging from bacteria to humans. tetrahydrothiophene is a cabbage tasting compound. Based on a literature review very few articles have been published on tetrahydrothiophene. |
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CAS Number | 110-01-0 |
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Structure | |
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Synonyms | Synonym | Source |
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Tetramethylene sulfide | ChEBI | Thiacyclopentane | ChEBI | Thiolan | ChEBI | Thiophane | ChEBI | Tetramethylene sulphide | Generator | THT, Thiophene | MeSH |
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Predicted Properties | |
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Chemical Formula | C4H8S |
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IUPAC name | thiolane |
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InChI Identifier | InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2 |
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InChI Key | RAOIDOHSFRTOEL-UHFFFAOYSA-N |
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Isomeric SMILES | C1CCSC1 |
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Average Molecular Weight | 88.171 |
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Monoisotopic Molecular Weight | 88.034670946 |
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Classification |
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Description | Belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Thiolanes |
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Sub Class | Not Available |
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Direct Parent | Thiolanes |
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Alternative Parents | |
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Substituents | - Thiolane
- Dialkylthioether
- Thioether
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | tetrahydrothiophene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-002u-9000000000-e308aba945c70122fb16 | Spectrum | Predicted GC-MS | tetrahydrothiophene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-9000000000-17ca9339f49d221e25ee | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-9000000000-348b0ebfdd795a2a2f5c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004u-9000000000-6b6f2bfe470a37b9cae9 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-9000000000-56e06d19b9b8da13872e | 2016-08-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9000000000-71badb789afd1ade3e6f | 2016-08-04 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-0dfab71093d4bcb90014 | 2016-08-04 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | 110-01-0 |
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GoodScent ID | rw1287701 |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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cabbage |
- Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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