Dimethyl Sulfide
PubChem CID: 1068
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| Compound Synonyms | dimethyl sulfide, Methyl sulfide, 75-18-3, Methane, thiobis-, dimethyl sulphide, dimethylsulfide, Methyl thioether, Dimethylsulphide, 2-Thiapropane, Dimethyl thioether, Methyl sulphide, Methylthiomethane, METHYLSULFANYLMETHANE, Dimethylsulfid, (Methylsulfanyl)methane, Methyl monosulfide, Thiobismethane, Dimethyl monosulfide, 2-Thiopropane, Methanethiomethane, Thiobis(methane), Exact-S, Sulfure de methyle, Dimethyl sulfide (natural), Dimethylsulfid [Czech], FEMA No. 2746, Sulfure de methyle [French], dimethylsulfane, Methylsulphide, Methylthiomethyl radical, HSDB 356, Methane, 1,1'-thiobis-, [SMe2], EINECS 200-846-2, QS3J7O7L3U, MFCD00008562, BRN 1696847, CHEBI:17437, AI3-25274, reduced dimethyl sulfoxide, DIMETHYL SULFIDE [MI], METHYL SULFIDE [FHFI], DIMETHYL SULFIDE [FCC], DIMETHYL SULFIDE [HSDB], DTXSID9026398, (CH3)2S, EC 200-846-2, 4-01-00-01275 (Beilstein Handbook Reference), (SMe2), 31533-72-9, methylsulfide, UN1164, UNII-QS3J7O7L3U, Thiopropane, Thiobis-methane, 2Thiapropane, di-methylsulfide, ExactS, Dimethyl sulfane, methane, thiobis, Sulfide, methyl-, (methylthio)methane, Me2S, REDUCED-DMSO, SMe2, Dimethyl sulfide, 98%, (Methylsulfanyl)methane #, Dimethyl sulfide [UN1164] [Flammable liquid], Dimethyl sulfide, anhydrous, Dimethyl sulfoxide(Reduced), (Me)2S, Dimethyl sulfide, >=99%, CHEMBL15580, DTXCID106398, S(CH3)2, Dimethyl sulfide, >=99%, FCC, Dimethyl sulfide, analytical standard, STL481894, Dimethyl sulfide, >=95.0% (GC), AKOS009031411, UN 1164, Dimethyl sulfide, anhydrous, >=99.0%, M0431, NS00005000, NS00124710, Dimethyl sulfide, puriss., >=99.0% (GC), C00580, Dimethyl sulfide, natural, >=99%, FCC, FG, Dimethyl sulfide [UN1164] [Flammable liquid], A838342, Dimethyl sulfide, redistilled, >=99%, FCC, FG, Q423133, 200-846-2 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 3.0 |
| Description | Dimethyl sulfide (DMS) or methylthiomethane is an organosulfur compound with the formula (CH3)2S. Dimethyl sulfide is a water-insoluble flammable liquid that boils at 37 °C (99 °F) and has a characteristic disagreeable odor. It is a component of the smell produced from cooking of certain vegetables, notably maize, cabbage, beetroot and seafoods. It is also an indication of bacterial infection in malt production and brewing. It is a breakdown product of dimethylsulfoniopropionate (DMSP), and is also produced by the bacterial metabolism of methanethiol. Dimethyl sulfide is found in many foods, some of which are soft-necked garlic, chives, spearmint, and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2.8 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O95050 |
| Iupac Name | methylsulfanylmethane |
| Prediction Hob | 1.0 |
| Class | Thioethers |
| Xlogp | 0.9 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkylthioethers |
| Molecular Formula | C2H6S |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMMFVYPAHWMCMS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | (METHYLsulfanyl)methane, (METHYLsulphanyl)methane, [SMe2], 2-Thiapropane, 2-Thiopropane, Dimethyl monosulfide, Dimethyl sulfide, Dimethyl sulfide (natural), Dimethyl sulfoxide(reduced), Dimethyl sulphide, Dimethyl thioether, Dimethylsulfid, Dimethylsulfide, Dimethylsulphide, Dimetyl sulfide, DMS?, Methanethiomethane, Methyl monosulfide, Methyl sulfide, Methyl sulphide, Methylthiomethane, Methylthiomethyl radical, Reduced-dmso, Thiobis-methane, Thiobismethane, Thiopropane, DMS, Methyl thioether, MSM |
| Substituent Name | Dialkylthioether, Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound |
| Compound Name | Dimethyl Sulfide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 62.019 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 62.019 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 62.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.7796493999999999 |
| Inchi | InChI=1S/C2H6S/c1-3-2/h1-2H3 |
| Smiles | CSC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dialkylthioethers |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Catha Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Codium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:fooddb_chem_all - 21. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:fooddb_chem_all - 22. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all