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| Identification |
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| YMDB ID | YMDB01590 |
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| Name | 2-Methylthio-ethanol |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | 2-(Methylthio)ethanol, also known as 2-methylmercaptoethanol, belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Based on a literature review a significant number of articles have been published on 2-(Methylthio)ethanol. |
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| Structure | |
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| Synonyms | - 1-Hydroxy-2-(methylthio)-ethane
- 2-(Methylsulfanyl)ethanol
- 2-(Methylthio)ethanol
- 2-Hydroxyethyl methyl sulfide
- 2-MethyIthioethanol
- 2-Methylmercaptoethanol
- beta-(Methylthio)ethanol
- beta-Hydroxyethyl methyl sulfide
- beta-Methylmercaptoethanol
- Hydroxyethyl methyl sulfide
- Methyl 2-hydroxyethyl sulfide
- S-Methylmercaptoethanol
- Methylthioethanol
- 2-Hydroxyethyl methyl sulphide
- b-(Methylthio)ethanol
- Β-(methylthio)ethanol
- b-Hydroxyethyl methyl sulfide
- b-Hydroxyethyl methyl sulphide
- beta-Hydroxyethyl methyl sulphide
- Β-hydroxyethyl methyl sulfide
- Β-hydroxyethyl methyl sulphide
- b-Methylmercaptoethanol
- Β-methylmercaptoethanol
- Hydroxyethyl methyl sulphide
- Methyl 2-hydroxyethyl sulphide
- 2-(methylmercapto)Ethanol
- 2-(methylthio)-Ethanol
- 2-Methylsulfanyl-ethanol
- Methylmercaptoethanol
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| CAS number | 5271-38-5 |
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| Weight | Average: 92.16
Monoisotopic: 92.029585568 |
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| InChI Key | WBBPRCNXBQTYLF-UHFFFAOYSA-N |
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| InChI | InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3 |
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| IUPAC Name | 2-(methylsulfanyl)ethan-1-ol |
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| Traditional IUPAC Name | 2-(methylthio)ethanol |
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| Chemical Formula | C3H8OS |
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| SMILES | CSCCO |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organosulfur compounds |
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| Class | Thioethers |
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| Sub Class | Dialkylthioethers |
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| Direct Parent | Dialkylthioethers |
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| Alternative Parents | |
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| Substituents | - Dialkylthioether
- Sulfenyl compound
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Not Available |
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| Charge | 0 |
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| Melting point | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations | Not Available |
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| Organoleptic Properties | Not Available |
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| SMPDB Pathways | Not Available |
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| KEGG Pathways | Not Available |
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| SMPDB Reactions | Not Available |
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| KEGG Reactions | Not Available |
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| Concentrations |
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| Intracellular Concentrations | Not Available |
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| Extracellular Concentrations | Not Available |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-03dm-9000000000-72514bd7603ac40929c9 | JSpectraViewer | MoNA | | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-03dm-9000000000-72514bd7603ac40929c9 | JSpectraViewer | MoNA | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-01ot-9000000000-66f2103dca58663d03be | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-00di-9200000000-6819d755c65ba4dc4dd0 | JSpectraViewer | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-9000000000-bd10fe52ce0bd1c4c733 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-002g-9000000000-928c1e53f1d0ec1fb9ba | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-056r-9000000000-cbb33698ecabe8590735 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9000000000-2e5f9370fce39a5bc431 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0007-9000000000-96f50c1abf923f3b0525 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0007-9000000000-93404944d1699f2fe8e3 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004j-9000000000-48b633b67fce8cb09f9b | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01ta-9000000000-9422ef976f1a6b7fa48a | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-405eff135d5795cc286f | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9000000000-e1d92d2a30bee517d754 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9000000000-e1d92d2a30bee517d754 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9000000000-e1d92d2a30bee517d754 | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer |
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| References |
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| References: | Not Available |
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| Synthesis Reference: | Not Available |
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| External Links: | |
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