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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C(C1=NC(=S)NN1)O |
|---|---|
| IUPAC Name | 5-(hydroxymethyl)-1,2-dihydro-1,2,4-triazole-3-thione |
| InChIKey | ASXVOJVUCSBDTC-UHFFFAOYSA-N |
| INCHI | 1S/C3H5N3OS/c7-1-2-4-3(8)6-5-2/h7H,1H2,(H2,4,5,6,8) |
| Isómeros SMILES | C(C1=NC(=S)NN1)O |
| CAS alternativo | 221524-72-7 |
| PubChem CID | 3529621 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazoles |
| Alternative Parents | Triazolines Heteroaromatic compounds Azacyclic compounds Primary alcohols Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triazoline - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms. |
| External Descriptors | Not available |
| Peso molecular | 131.160 g/mol |
|---|---|
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 131.015 Da |
| Monoisotopic Mass | 131.015 Da |
| Topological Polar Surface Area | 88.700 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 143.000 |
| 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 |