Methanethiol
PubChem CID: 878
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| Compound Synonyms | methanethiol, METHYL MERCAPTAN, Methylmercaptan, Mercaptomethane, 74-93-1, Methyl sulfhydrate, Methanthiol, Thiomethanol, Thiomethyl alcohol, Metilmercaptano, Methvtiolo, Thiomethane, Methylmercaptaan, Mercaptan methylique, Methaanthiol, Methanethiole, Methanthiol [German], methyl-mercaptan, CH3SH, FEMA No. 2716, Methyl thioalcohol, Methyl mercaptan (natural), RCRA waste number U153, HSDB 813, methyl thiol, methyl-thiol, EINECS 200-822-1, MeSH, methylsulfanium, UN1064, UNII-2X8406WW9I, UN 1064, BRN 1696840, METHANETHIOL [MI], METHYL MERCAPTAN [FHFI], METHYL MERCAPTAN [HSDB], DTXSID5026382, CHEBI:16007, EC 200-822-1, 2X8406WW9I, 4-01-00-01273 (Beilstein Handbook Reference), METHANTHIOL (GERMAN), Methaanthiol [Dutch], Methvtiolo [Italian], Methylmercaptaan [Dutch], Metilmercaptano [Italian], Metilmercaptano [Spanish], Mercaptan methylique [French], RCRA waste no. U153, methylsulfanyl, methane thiol, (methyl)sulfane, Methylthioalcohol, a methyl thioether, sulfonium methylide, Methanethiol, purum, METHANEETHIOL, Methanethiol (OSHA), Methanethiol, 98.0%, Methanethiol, >=98.0%, DTXCID406382, Methyl mercaptan (ACGIH:OSHA), DTXSID10168842, DTXSID60992376, NSC229573, AKOS009157032, METHYL MERCAPTAN (METHANETHIOL), NSC-229573, Methyl mercaptan [UN1064] [Poison gas], NS00020025, C00409, Q409309, 17719-48-1, Z22 |
|---|---|
| Topological Polar Surface Area | 1.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 2.0 |
| Description | Flavouring agent. Isolated from higher plants, e.g. radish (Raphanus sativus), also present in orange juice, pineapple, strawberries, asparagus, wheatbread, gruyere cheese, hop oil, coffee, roasted filberts, cooked rice and other foods Methanethiol (also known as methyl mercaptan) is a colorless gas that smells like rotten cabbage. It is a natural substance found in the blood, brain, and other tissues of people and animals. It is released from animal feces. It occurs naturally in certain foods, such as some nuts and cheese. It is also one of the main chemicals responsible for bad breath and flatulence. At very high concentrations methanethiol is highly toxic and affects the central nervous system. The chemical formula for methanethiol is CH3SH, Methanethiol (also known as methyl mercaptan) is a colorless gas with a smell like rotten cabbage. It is a natural substance found in the blood, brain, and other animal as well as plant tissues. It is disposed of through animal feces. It occurs naturally in certain foods, such as some nuts and cheese. It is also one of the main chemicals responsible for bad breath and the smell of flatus. The chemical formula for methanethiol is CH3SH, it is classified as a thiol., Methanethiol is a byproduct produced by the metabolism of asparagus in 40-50% of people. The ability to detect the presence of methanethiol is also a genetic trait, and these traits are inherited separately. It is responsible for a noticeable change in the odor of urine, as soon as a few hours after eating asparagus., Methanethiol is a weak acid, with a pKa of ~10.4. This acidic property makes it reactive with dissolved metals in aqueous solutions. The environmental chemistry of these interactions in seawater or fresh water environments such as lakes has yet to be fully investigated., it is classified as a thiol. Methanethiol is also considered to be a weak acid, with a pKa of ~10.4. This acidic property makes it reactive with dissolved metals in aqueous solutions. The environmental chemistry of these interactions in seawater or fresh water environments such as lakes has yet to be fully investigated. -- Wikipedia. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methanethiol |
| Prediction Hob | 1.0 |
| Class | Thiols |
| Xlogp | 0.5 |
| Superclass | Organosulfur compounds |
| Subclass | Alkylthiols |
| Molecular Formula | CH4S |
| Prediction Swissadme | 0.0 |
| Inchi Key | LSDPWZHWYPCBBB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| State | Gas |
| Synonyms | ATO, CH3SH, FEMA 2716, MEE, Mercaptan C1, Mercaptan methylique, Mercaptomethane, Methaanthiol, Methanethiole, Methanthiol, Methvtiolo, Methyl mercaptan, Methyl mercaptan [UN1064] [Poison gas], Methyl sulfhydrate, Methyl thioalcohol, Methyl-mercaptan, Methylmercaptaan, Methylmercaptan, Methylsulfanium, Methylsulfide anion, Methylthioalcohol, Metilmercaptano, Thiomethane, Thiomethanol, Thiomethyl alcohol, Methylmercaptan, lead (2+) salt, Methanethiolate, Methylmercaptan, sodium salt, Methylmercaptan, mercury (2+) salt |
| Substituent Name | Alkylthiol, Hydrocarbon derivative, Aliphatic acyclic compound |
| Compound Name | Methanethiol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 48.0034 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 48.0034 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 48.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.45958200000000005 |
| Inchi | InChI=1S/CH4S/c1-2/h2H,1H3 |
| Smiles | CS |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alkylthiols |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all