Structure via PubChem · Public domain (PubChem)
indoxyl sulfate
Sign in to saveAlso known as 3-indolyl sulfate, indol-3-yl hydrogen sulfate, 3-indolyl hydrogen sulfate, indol-3-yl sulphate, Indoxyl sulfic acid, Indol-3-yl sulfate, 3-Indoxylsulfuric acid, Indoxylsulfuric acid
chemical compound
Chemical data
- Formula
- C8H7NO4S
- Molecular weight
- 213.21 g/mol
- IUPAC name
- 1H-indol-3-yl hydrogen sulfate
- SMILES
- C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O
- InChIKey
- BXFFHSIDQOFMLE-UHFFFAOYSA-N
- XLogP
- 1.3
- Polar surface area
- 87.8 Ų
- H-bond donors
- 2
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- indole alkaloid
- Mass
- 213.01
Show 4 more facts
- chemical formula
- C₈H₇NO₄S
- canonical SMILES
- C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O
- found in taxon
- Homo sapiens
- Commons category
- Indoxyl sulfate
via Wikidata · CC0