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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=NC(=CS1)CSC2=NN=C(S2)N |
|---|---|
| IUPAC Name | 5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine |
| InChIKey | LMRBXUQMWJJWBE-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N4S3/c1-4-9-5(2-12-4)3-13-7-11-10-6(8)14-7/h2H,3H2,1H3,(H2,8,10) |
| Isomeric SMILES | CC1=NC(=CS1)CSC2=NN=C(S2)N |
| PubChem CID | 1503584 |
| Molecular Weight | 244.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles 2,4-disubstituted thiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - 2,4-disubstituted 1,3-thiazole - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - 2-amino-1,3,4-thiadiazole - Azole - Heteroaromatic compound - Thiadiazole - Thiazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 244.400 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 243.991 Da |
| Monoisotopic Mass | 243.991 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 194.000 |
| 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 |