sulfatase substrate for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | C1=CC(=C(C2=C1NC=C2OS(=O)(=O)[O-])Cl)Br.[K+] |
|---|---|
| IUPAC Name | potassium;(5-bromo-4-chloro-1H-indol-3-yl) sulfate |
| InChIKey | BONBCMDYPZGTEU-UHFFFAOYSA-M |
| INCHI | 1S/C8H5BrClNO4S.K/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;/h1-3,11H,(H,12,13,14);/q;+1/p-1 |
| Isomeric SMILES | C1=CC(=C(C2=C1NC=C2OS(=O)(=O)[O-])Cl)Br.[K+] |
| PubChem CID | 23664775 |
| Molecular Weight | 364.64 |
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 | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Arylsulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Arylsulfates |
| Alternative Parents | Indoles Sulfuric acid monoesters Substituted pyrroles Aryl bromides Aryl chlorides Benzenoids Heteroaromatic compounds Azacyclic compounds Organic metal halides Organic potassium salts Hydrocarbon derivatives Organobromides Organochlorides Organooxygen compounds Organonitrogen compounds Organic oxides Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Arylsulfate - Indole - Indole or derivatives - Aryl bromide - Aryl chloride - Aryl halide - Substituted pyrrole - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Heteroaromatic compound - Pyrrole - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic potassium salt - Organic salt - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. |
| External Descriptors | Not available |
| Solubility | water: 50 mg/mL, clear to slightly hazy |
|---|---|
| Molecular Weight | 364.640 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 362.837 Da |
| Monoisotopic Mass | 362.837 Da |
| Topological Polar Surface Area | 90.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 | 2 |
