| Sonrisas canónicas | CCSC1=NC=C(N1C)CO |
|---|---|
| IUPAC Name | (2-ethylsulfanyl-3-methylimidazol-4-yl)methanol |
| InChIKey | VPYMPZGALQAUAI-UHFFFAOYSA-N |
| INCHI | 1S/C7H12N2OS/c1-3-11-7-8-4-6(5-10)9(7)2/h4,10H,3,5H2,1-2H3 |
| Isómeros SMILES | CCSC1=NC=C(N1C)CO |
| PubChem CID | 1475693 |
| Peso molecular | 172.25 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles - Trisubstituted imidazoles |
| Direct Parent | 1,2,5-trisubstituted imidazoles |
| Alternative Parents | Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2,5-trisubstituted-imidazole - Aryl thioether - Alkylarylthioether - N-substituted imidazole - Heteroaromatic compound - Thioether - Sulfenyl compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Organopnictogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,2,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 5. |
| External Descriptors | Not available |
| Peso molecular | 172.250 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 172.067 Da |
| Monoisotopic Mass | 172.067 Da |
| Topological Polar Surface Area | 63.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 123.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]methanol , CAS No.191411-45-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)