≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)[O-] |
|---|---|
| IUPAC Name | 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate |
| InChIKey | XTNXDHCAMPMVRG-UHFFFAOYSA-N |
| INCHI | 1S/C15H21NO3S/c1-12-15(2,3)13-8-4-5-9-14(13)16(12)10-6-7-11-20(17,18)19/h4-5,8-9H,6-7,10-11H2,1-3H3 |
| Isomeric SMILES | CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)[O-] |
| Alternate CAS | 54136-26-4 |
| PubChem CID | 10447232 |
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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Benzenoids Sulfonyls Organosulfonic acids Alkanesulfonic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| External Descriptors | Not available |
| Molecular Weight | 295.400 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 295.124 Da |
| Monoisotopic Mass | 295.124 Da |
| Topological Polar Surface Area | 68.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 474.000 |
| 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 |
