≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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 | CSC1=NC=C(C(=N1)NC2CCCC2)CO |
|---|---|
| InChIKey | HKGVZNNJDXEJQC-UHFFFAOYSA-N |
| INCHI | 1S/C11H17N3OS/c1-16-11-12-6-8(7-15)10(14-11)13-9-4-2-3-5-9/h6,9,15H,2-5,7H2,1H3,(H,12,13,14) |
| Isomeric SMILES | CSC1=NC=C(C(=N1)NC2CCCC2)CO |
| Molecular Weight | 239.34 |
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 | Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Imidolactam - Heteroaromatic compound - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Alcohol - Aromatic alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen 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 |
| Boil Point(°C) | 455.7±35.0°C(Predicted) |
|---|---|
| Molecular Weight | 239.340 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 239.109 Da |
| Monoisotopic Mass | 239.109 Da |
| Topological Polar Surface Area | 83.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 211.000 |
| 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 |
