| Canonical Smiles | CCC1=C(NC(=S)S1)C |
|---|---|
| IUPAC Name | 5-ethyl-4-methyl-3H-1,3-thiazole-2-thione |
| InChIKey | MSELWNLOOYKCBN-UHFFFAOYSA-N |
| INCHI | 1S/C6H9NS2/c1-3-5-4(2)7-6(8)9-5/h3H2,1-2H3,(H,7,8) |
| Molecular Weight | 159.3 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 159.300 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 159.018 Da |
| Monoisotopic Mass | 159.018 Da |
| Topological Polar Surface Area | 69.400 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| 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 |
