2,5-dihydroxybenzenesulfonic acid

C6H6O5S — CID 17507

IUPAC2,5-dihydroxybenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(O)ccc1O
InChIInChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKeyIKQCSJBQLWJEPU-UHFFFAOYSA-N
MW190.18 g/mol
LogP0.34
Rot. Bonds1

About 2,5-dihydroxybenzenesulfonic acid

2,5-dihydroxybenzenesulfonic acid (PubChem CID 17507) has the molecular formula C6H6O5S and a molecular weight of 190.18 g/mol. Its IUPAC name is 2,5-dihydroxybenzenesulfonic acid.

Molecular Properties

Compound Name2,5-dihydroxybenzenesulfonic acid
PubChem CID17507
Molecular FormulaC6H6O5S
Molecular Weight190.18 g/mol
Exact Mass189.99
IUPAC Name2,5-dihydroxybenzenesulfonic acid
SMILESO=S(=O)(O)c1cc(O)ccc1O
InChIInChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKeyIKQCSJBQLWJEPU-UHFFFAOYSA-N
XLogP0.34
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxybenzenesulfonic acid
CID 4765
Calcium Dobesilate
CID 29963
Potassium dobesilate
CID 23672329
Phenoldisulfonic acid
CID 66787
Sodium P-phenolsulfonate dihydrate
CID 23666329
Sodium 4-hydroxybenzenesulfonate
CID 4379756
4-Sulfophenol
CID 3010347
Sodium dobesilate
CID 23663438
3,4-Dihydroxybenzenesulfonic acid
CID 189003
o-Phenolsulfonic acid
CID 11867
2-(Phenylsulfonyl)-1,4-benzenediol
CID 640910
Persilic Acid
CID 71199

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxybenzenesulfonic acid?
The IUPAC name of 2,5-dihydroxybenzenesulfonic acid (CID 17507) is 2,5-dihydroxybenzenesulfonic acid.
What is the SMILES notation for 2,5-dihydroxybenzenesulfonic acid?
The canonical SMILES for 2,5-dihydroxybenzenesulfonic acid is O=S(=O)(O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxybenzenesulfonic acid?
The InChIKey is IKQCSJBQLWJEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11).
What are the key properties of 2,5-dihydroxybenzenesulfonic acid?
2,5-dihydroxybenzenesulfonic acid has a molecular weight of 190.18 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxybenzenesulfonic acid is sourced from PubChem (CID 17507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).