Methionol
PubChem CID: 10448
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| Compound Synonyms | Methionol, 505-10-2, 3-methylthiopropanol, 3-(Methylthio)-1-propanol, 3-(methylthio)propan-1-ol, 3-(METHYLTHIO)PROPANOL, 1-Propanol, 3-(methylthio)-, 3-Hydroxypropyl methyl sulfide, 3-Methylmercapto-1-propanol, 3-(methylsulfanyl)propan-1-ol, 3-Methylthio-1-propanol, 3-methylsulfanylpropan-1-ol, gamma-Methylmercaptopropyl alcohol, 3-(Methylsulfanyl)-1-propanol, 4-Thiapentan-1-ol, 3-(Methylthio)propyl alcohol, methylmercaptopropanol, 3-Methyl thiopropaol, NSC 2859, Methyl 3-hydroxypropylsulfide, FEMA No. 3415, gamma-Hydroxypropyl methyl sulfide, 3-methylsulfanyl-1-propanol, H1E1U441XX, CHEBI:49019, NSC-2859, .gamma.-Methylmercaptopropyl alcohol, EINECS 208-004-6, MFCD00036560, 3-Methylthiopropyl alcohol, 3-(Methylsulfanyl)propanol, 3-methylsulfanyl-propan-1-ol, 3-Methylmercaptopropyl Alcohol, AI3-17420, DTXSID7060128, 3-(METHYLTHIO)PROPANOL [FHFI], 3-Hydroxypropyl methyl sulfide, 3-Methylmercapto-1-propanol, 4-Thiapentan-1-ol, UNII-H1E1U441XX, 3-(methylthio)propane-1-ol, C4H10OS, SCHEMBL101773, 3-(Methylmercapto)propan-1-ol, CHEMBL332887, DTXCID4040846, FEMA 3415, NSC2859, 3-(Methylsulfanyl)-1-propanol #, O,O-Diphenyl, methanedisulIfonate-, 3-(Methylthio)-1-propanol, 98%, AKOS005255124, 3-(Methylsulfanyl)propanol (methionol), FM25962, SB17653, AS-59057, 3-(Methylthio)-1-propanol, >=98%, FG, DB-003422, CS-0015993, M0735, NS00022250, laquo gammaRaquo -methylmercaptopropyl alcohol, EN300-112112, Q11343729, 3-Methylsulfanyl-propan-1-ol, 3-Methylmercapto-propan-1-ol, InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H, 208-004-6 |
|---|---|
| Topological Polar Surface Area | 45.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Description | Widely distributed aroma constituent of foods and beverages e.g. wines, beers, stored apples, melon, pineapple, cheddar cheese, asparagus, tomato, shoyu, ham, roasted coffee, cooked clams, cooked shrimps, soy sauce etc. 3-(Methylthio)-1-propanol is found in many foods, some of which are common persimmon, shallot, oval-leaf huckleberry, and root vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 23.5 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00959 |
| Iupac Name | 3-methylsulfanylpropan-1-ol |
| Prediction Hob | 1.0 |
| Class | Thioethers |
| Xlogp | 0.5 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkylthioethers |
| Molecular Formula | C4H10OS |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZUGFKJYCPYHHV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.662 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.881 |
| Synonyms | «, gamma», -methylmercaptopropyl alcohol, 1-Propanol, 3-(methylthio)-, 3-(Methylsulfanyl)-1-propanol, 3-(methylsulfanyl)propan-1-ol, 3-(methylsulfanyl)propanol, 3-(methylsulfanyl)propanol (methionol), 3-(Methylthio)-1-propanol, 3-(Methylthio)propanol, 3-(Methylthio)propyl alcohol, 3-Hydroxypropyl methyl sulfide, 3-Hydroxypropyl methyl sulphide, 3-Methylmercapto-1-propanol, 3-methylsulfanyl-1-propanol, 3-methylsulfanyl-propan-1-ol, 3-methylthiopropanol, 3-methylthiopropyl alcohol, FEMA 3415, g-Methylmercaptopropyl alcohol, Gamma-hydroxypropyl methyl sulfide, Gamma-methylmercaptopropyl alcohol, Laquo gammaraquo -methylmercaptopropyl alcohol, Methionol, Methyl 3-hydroxypropylsulfide, Methylmercaptopropanol, γ-methylmercaptopropyl alcohol |
| Substituent Name | Dialkylthioether, Sulfenyl compound, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Compound Name | Methionol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 106.045 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 106.045 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 106.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6468779999999998 |
| Inchi | InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3 |
| Smiles | CSCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all