≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | CC(C)CN1C(=NN=C1SC)CCCN |
|---|---|
| IUPAC Name | 3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine |
| InChIKey | OZVVGHPOHUFVIR-UHFFFAOYSA-N |
| INCHI | 1S/C10H20N4S/c1-8(2)7-14-9(5-4-6-11)12-13-10(14)15-3/h8H,4-7,11H2,1-3H3 |
| Molecular Weight | 228.360 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Aralkylamines Alkylarylthioethers Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Alkylarylthioether - Aralkylamine - Azole - 1,2,4-triazole - Heteroaromatic compound - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Organic nitrogen compound - Primary amine - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - 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 | 228.360 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 228.141 Da |
| Monoisotopic Mass | 228.141 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 177.000 |
| 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 |
![3-[4-(2-methylpropyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propan-1-amine - ≥95% , CAS No.847783-69-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)