3,6-dihydroxybenzene-1,2-disulfonic acid

C6H6O8S2 — CID 14848534

IUPAC3,6-dihydroxybenzene-1,2-disulfonic acid
SMILESO=S(=O)(O)c1c(O)ccc(O)c1S(=O)(=O)O
InChIInChI=1S/C6H6O8S2/c7-3-1-2-4(8)6(16(12,13)14)5(3)15(9,10)11/h1-2,7-8H,(H,9,10,11)(H,12,13,14)
InChIKeyYATBRYVTSFBCOK-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.41
Rot. Bonds2

About 3,6-dihydroxybenzene-1,2-disulfonic acid

3,6-dihydroxybenzene-1,2-disulfonic acid (PubChem CID 14848534) has the molecular formula C6H6O8S2 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3,6-dihydroxybenzene-1,2-disulfonic acid.

Molecular Properties

Compound Name3,6-dihydroxybenzene-1,2-disulfonic acid
PubChem CID14848534
Molecular FormulaC6H6O8S2
Molecular Weight270.24 g/mol
Exact Mass269.95
IUPAC Name3,6-dihydroxybenzene-1,2-disulfonic acid
SMILESO=S(=O)(O)c1c(O)ccc(O)c1S(=O)(=O)O
InChIInChI=1S/C6H6O8S2/c7-3-1-2-4(8)6(16(12,13)14)5(3)15(9,10)11/h1-2,7-8H,(H,9,10,11)(H,12,13,14)
InChIKeyYATBRYVTSFBCOK-UHFFFAOYSA-N
XLogP-0.41
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxybenzene-1,2-disulfonic acid?
The IUPAC name of 3,6-dihydroxybenzene-1,2-disulfonic acid (CID 14848534) is 3,6-dihydroxybenzene-1,2-disulfonic acid.
What is the SMILES notation for 3,6-dihydroxybenzene-1,2-disulfonic acid?
The canonical SMILES for 3,6-dihydroxybenzene-1,2-disulfonic acid is O=S(=O)(O)c1c(O)ccc(O)c1S(=O)(=O)O.
What is the InChIKey of 3,6-dihydroxybenzene-1,2-disulfonic acid?
The InChIKey is YATBRYVTSFBCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O8S2/c7-3-1-2-4(8)6(16(12,13)14)5(3)15(9,10)11/h1-2,7-8H,(H,9,10,11)(H,12,13,14).
What are the key properties of 3,6-dihydroxybenzene-1,2-disulfonic acid?
3,6-dihydroxybenzene-1,2-disulfonic acid has a molecular weight of 270.24 g/mol, XLogP of -0.41, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxybenzene-1,2-disulfonic acid is sourced from PubChem (CID 14848534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).