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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(SC=N1)N |
|---|---|
| IUPAC Name | 4-methyl-1,3-thiazol-5-amine |
| InChIKey | IQHFLJOHGQJKFL-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N2S/c1-3-4(5)7-2-6-3/h2H,5H2,1H3 |
| Isomeric SMILES | CC1=C(SC=N1)N |
| PubChem CID | 12531960 |
| Molecular Weight | 114.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | 4,5-disubstituted thiazoles |
| Alternative Parents | Aminothiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4,5-disubstituted 1,3-thiazole - 1,3-thiazolamine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 4 and 5 only. |
| External Descriptors | Not available |
| Molecular Weight | 114.170 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 114.025 Da |
| Monoisotopic Mass | 114.025 Da |
| Topological Polar Surface Area | 67.200 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 66.700 |
| 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 |