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Potassium 1H-indol-3-yl sulfate - 98%, high purity , CAS No.2642-37-7
Basic Description
Synonyms
Indol-3-yl sulfate, potassium salt | POTASSIUM,1H-INDOL-3-YL SULFATE | 3-Indoxylsulfuric acid, potassium salt | FD10016 | FT-0615879 | C8H6KNO4S | 1346601-03-3 | potassium 1H-indol-3-yl sulfate | Potassium indol-3-yl sulphate | Potassium indol-3-yl sulfat
Specifications & Purity
≥98%
Storage Temp
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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 Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Arylsulfate - Indole - Indole or derivatives - Substituted pyrrole - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Pyrrole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic alkali metal salt - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic potassium salt - 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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
potassium;1H-indol-3-yl sulfate
INCHI
InChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1
InChIKey
MDAWATNFDJIBBD-UHFFFAOYSA-M
Smiles
C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+]
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)[O-].[K+]
WGK Germany
3
RTECS
NM3200000
PubChem CID
5177095
Molecular Weight
251.3
Beilstein
3921324
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
165 °C
Molecular Weight
251.300 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
250.965 Da
Monoisotopic Mass
250.965 Da
Topological Polar Surface Area
90.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
302.000
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
Citations of This Product
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