Sodium p-phenolsulfonate dihydrateProduct ingredient for Phenolsulfonic acid
- Name
- Sodium p-phenolsulfonate dihydrate
- Drug Entry
- Phenolsulfonic acid
- Accession Number
- DBSALT002840
- Structure
Structure for Sodium p-phenolsulfonate dihydrate (DBSALT002840)
- Synonyms
- Sulphocarbolate sodium
- UNII
- 5NH81N759Q
- CAS Number
- 10580-19-5
- Weight
- Average: 232.18
Monoisotopic: 232.00175346 - Chemical Formula
- C6H9NaO6S
- InChI Key
- SXONATFNYJWFNK-UHFFFAOYSA-M
- InChI
- InChI=1S/C6H6O4S.Na.2H2O/c7-5-1-3-6(4-2-5)11(8,9)10;;;/h1-4,7H,(H,8,9,10);;2*1H2/q;+1;;/p-1
- IUPAC Name
- sodium 4-hydroxybenzene-1-sulfonate dihydrate
- SMILES
- O.O.[Na+].OC1=CC=C(C=C1)S([O-])(=O)=O
- External Links
- ChemSpider
- 2005881
- ChEMBL
- CHEMBL3989534
- Predicted Properties
Property Value Source Water Solubility 11.9 mg/mL ALOGPS logP 0.92 ALOGPS logP 0.85 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) -2.6 Chemaxon pKa (Strongest Basic) -6.1 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 77.43 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 37.54 m3·mol-1 Chemaxon Polarizability 14.87 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon