2-(Methylthio)ethanol
PubChem CID: 78925
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| Compound Synonyms | 2-(Methylthio)ethanol, 5271-38-5, Ethanol, 2-(methylthio)-, 2-methylthioethanol, 2-methylsulfanylethanol, Methylthioethanol, 2-Methylmercaptoethanol, 2-Hydroxyethyl methyl sulfide, 2-(Methylsulfanyl)ethanol, Hydroxyethyl methyl sulfide, S-Methylmercaptoethanol, Methyl 2-hydroxyethyl sulfide, 2-(methylsulfanyl)ethan-1-ol, 2-methylsulfanyl-ethanol, beta-Methylmercaptoethanol, beta-Hydroxyethyl methyl sulfide, beta-(Methylthio)ethanol, 1-Hydroxy-2-(methylthio)-ethane, NSC 1902, .beta.-Methylmercaptoethanol, 5K6TOE95UY, methylmercaptoethanol, 2-MethyIthioethanol, CHEBI:63861, 2-(methylthio)-ethanol, NSC-1902, EINECS 226-090-3, 2-(Methylmercapto)ethanol, AI3-17419, CHEMBL277871, METHYLSULFANYL-1-ETHANOL, FEMA NO. 4004, DTXSID90200678, 2-(METHYLTHIO)ETHYL ALCOHOL, 2-(METHYLTHIO)ETHANOL [FHFI], 2-(Methylthio) Ethanol, 2-methylthio ethanol, MFCD00002908, UNII-5K6TOE95UY, 2-Hydroxyethylmethyl sulfide, Ethanol, 2-methylthio, 2-methanesulfanylethanol, 2-methylsulphanylethanol, (2-methylsulfanyl)ethanol, 2-hydroxyethyl-methylsulfid, .beta.-(Methylthio)ethanol, 2-Hydroxyethyl-methylsulfide, 2-(Methylsulfanyl)ethanol #, 2-(Methylthio)ethanol, 99%, WBBPRCNXBQTYLF-UHFFFAOYSA-, DTXCID20123169, NSC1902, 2-(Methylthio)ethanol, >=99%, .beta.-Hydroxyethyl methyl sulfide, BDBM50026479, AKOS009075584, SB83788, AS-57506, DB-003209, CS-0150086, M0358, NS00022295, EN300-95780, Q27132867, 2-(Methylmercapto)ethanol 2-Hydroxyethyl methyl sulfide, InChI=1/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3, Z149154880, 226-090-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 45.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CSCCO |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Thioethers |
| Description | It is used as a food additive . |
| Classyfire Subclass | Dialkylthioethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 16.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P32738, P00959, P28570 |
| Iupac Name | 2-methylsulfanylethanol |
| Class | Thioethers |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 0.2 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkylthioethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H8OS |
| Inchi Key | WBBPRCNXBQTYLF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | &beta, -(methylthio)ethanol, &beta, -hydroxyethyl methyl sulfide, &beta, -methylmercaptoethanol, 1-Hydroxy-2-(methylthio)-ethane, 2-(Methylmercapto)ethanol, 2-(Methylsulfanyl)ethanol, 2-(methylthio)-Ethanol, 2-Hydroxyethyl methyl sulfide, 2-Hydroxyethyl methyl sulphide, 2-MethyIthioethanol, 2-Methylmercaptoethanol, 2-methylsulfanyl-ethanol, b-(methylthio)Ethanol, b-Hydroxyethyl methyl sulfide, b-Hydroxyethyl methyl sulphide, b-Methylmercaptoethanol, beta-(methylthio)Ethanol, Beta-hydroxyethyl methyl sulfide, beta-Hydroxyethyl methyl sulphide, beta-Methylmercaptoethanol, Ethanol, 2-(methylthio)-, Hydroxyethyl methyl sulfide, Hydroxyethyl methyl sulphide, Methyl 2-hydroxyethyl sulfide, Methyl 2-hydroxyethyl sulphide, Methylmercaptoethanol, Methylthioethanol, S-methylmercaptoethanol, β-(methylthio)ethanol, β-hydroxyethyl methyl sulfide, β-hydroxyethyl methyl sulphide, β-methylmercaptoethanol, beta-(Methylthio)ethanol, beta-Hydroxyethyl methyl sulfide, S-Methylmercaptoethanol, b-(Methylthio)ethanol, Β-(methylthio)ethanol, Β-hydroxyethyl methyl sulfide, Β-hydroxyethyl methyl sulphide, Β-methylmercaptoethanol, 2-(methylmercapto)Ethanol, 2-Methylsulfanyl-ethanol, 2-(Methylthio)ethanol, 2-methylthioethanol |
| Substituent Name | Dialkylthioether, Sulfenyl compound, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CO, CSC |
| Compound Name | 2-(Methylthio)ethanol |
| Kingdom | Organic compounds |
| Exact Mass | 92.0296 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 92.0296 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 92.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3 |
| Smiles | CSCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkylthioethers |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248