2-hydroxyethane-1,1-disulfonic acid

C2H6O7S2 — CID 18781737

IUPAC2-hydroxyethane-1,1-disulfonic acid
SMILESO=S(=O)(O)C(CO)S(=O)(=O)O
InChIInChI=1S/C2H6O7S2/c3-1-2(10(4,5)6)11(7,8)9/h2-3H,1H2,(H,4,5,6)(H,7,8,9)
InChIKeyRPEIKJGZYJQGJL-UHFFFAOYSA-N
MW206.20 g/mol
LogP-1.92
Rot. Bonds3

About 2-hydroxyethane-1,1-disulfonic acid

2-hydroxyethane-1,1-disulfonic acid (PubChem CID 18781737) has the molecular formula C2H6O7S2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-hydroxyethane-1,1-disulfonic acid.

Molecular Properties

Compound Name2-hydroxyethane-1,1-disulfonic acid
PubChem CID18781737
Molecular FormulaC2H6O7S2
Molecular Weight206.20 g/mol
Exact Mass205.96
IUPAC Name2-hydroxyethane-1,1-disulfonic acid
SMILESO=S(=O)(O)C(CO)S(=O)(=O)O
InChIInChI=1S/C2H6O7S2/c3-1-2(10(4,5)6)11(7,8)9/h2-3H,1H2,(H,4,5,6)(H,7,8,9)
InChIKeyRPEIKJGZYJQGJL-UHFFFAOYSA-N
XLogP-1.92
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypropane-2-sulfonic acid;λ2-stannane
CID 175490512
(2S,3R)-butane-1,2,3,4-tetrol;sulfuric acid
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propane-1,2-diol;sulfuric acid
CID 173459589
propane-1,2-diol;sulfuric acid
CID 87528272
potassium;1,4-dihydroxybutane-2-sulfonic acid;hydride
CID 173180186
sodium 1,3-dihydroxypropane-2-sulfonic acid
CID 87485333
sodium;1,4-dihydroxybutane-2-sulfonic acid;hydride
CID 173001274
CID 87079016
CID 87079016
1,3-dihydroxy-1-sulfanylpropane-2-sulfonic acid
CID 142735385
methanesulfonic acid;propane-1,2,3-triol
CID 71359937
1-amino-2-sulfanylethanesulfonic acid
CID 18184067
2-(ethylamino)ethane-1,1-disulfonic acid
CID 154166868

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethane-1,1-disulfonic acid?
The IUPAC name of 2-hydroxyethane-1,1-disulfonic acid (CID 18781737) is 2-hydroxyethane-1,1-disulfonic acid.
What is the SMILES notation for 2-hydroxyethane-1,1-disulfonic acid?
The canonical SMILES for 2-hydroxyethane-1,1-disulfonic acid is O=S(=O)(O)C(CO)S(=O)(=O)O.
What is the InChIKey of 2-hydroxyethane-1,1-disulfonic acid?
The InChIKey is RPEIKJGZYJQGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O7S2/c3-1-2(10(4,5)6)11(7,8)9/h2-3H,1H2,(H,4,5,6)(H,7,8,9).
What are the key properties of 2-hydroxyethane-1,1-disulfonic acid?
2-hydroxyethane-1,1-disulfonic acid has a molecular weight of 206.20 g/mol, XLogP of -1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethane-1,1-disulfonic acid is sourced from PubChem (CID 18781737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).