| Sonrisas canónicas | C1C(=O)NC=CS1 |
|---|---|
| IUPAC Name | 4H-1,4-thiazin-3-one |
| InChIKey | UIRSLBDCOYTZPH-UHFFFAOYSA-N |
| INCHI | 1S/C4H5NOS/c6-4-3-7-2-1-5-4/h1-2H,3H2,(H,5,6) |
| Isómeros SMILES | C1C(=O)NC=CS1 |
| PubChem CID | 2751285 |
| Peso molecular | 115.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiazines |
| Subclass | 1,4-thiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-thiazines |
| Alternative Parents | Thioenol ethers Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Para-thiazine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioenolether - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,4-thiazines. These are organic compounds containing 1,4-thiazine, a six-member ring with a nitrogen and a sulfur atoms in ring positions 1 and 4 respectively, as well as two double bonds. |
| External Descriptors | Not available |
| Peso molecular | 115.160 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 115.009 Da |
| Monoisotopic Mass | 115.009 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 |
