ethane-1,2-disulfonic acid

C2H6O6S2 — CID 8032

IUPACethane-1,2-disulfonic acid
SMILESO=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
InChIKeyAFAXGSQYZLGZPG-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.24
Rot. Bonds3

About ethane-1,2-disulfonic acid

ethane-1,2-disulfonic acid (PubChem CID 8032) has the molecular formula C2H6O6S2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethane-1,2-disulfonic acid.

Molecular Properties

Compound Nameethane-1,2-disulfonic acid
PubChem CID8032
Molecular FormulaC2H6O6S2
Molecular Weight190.20 g/mol
Exact Mass189.96
IUPAC Nameethane-1,2-disulfonic acid
SMILESO=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
InChIKeyAFAXGSQYZLGZPG-UHFFFAOYSA-N
XLogP-1.24
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mercaptoethanesulfonic acid
CID 598
Ethanesulfonic acid
CID 11668
1,3-Propanedisulfonic acid
CID 428573
Ethanedisulfonate
CID 3647008
2,2'-Dithiodiethanesulfonic acid
CID 65626
Butane-1,4-disulfonic acid
CID 119022
1,2-Ethanedisulfonic acid, calcium salt (1:1)
CID 201029
CID 16219904
CID 16219904
1,2-ethanedisulfonic acid magnesium salt
CID 44630278
Platinum(2+); 2-sulfanylethanesulfonic acid
CID 502212
Silver 2-sulfanylethanesulfonic acid
CID 502213
Ethane-1,1-disulfonic Acid
CID 182648

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-disulfonic acid?
The IUPAC name of ethane-1,2-disulfonic acid (CID 8032) is ethane-1,2-disulfonic acid.
What is the SMILES notation for ethane-1,2-disulfonic acid?
The canonical SMILES for ethane-1,2-disulfonic acid is O=S(=O)(O)CCS(=O)(=O)O.
What is the InChIKey of ethane-1,2-disulfonic acid?
The InChIKey is AFAXGSQYZLGZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8).
What are the key properties of ethane-1,2-disulfonic acid?
ethane-1,2-disulfonic acid has a molecular weight of 190.20 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-disulfonic acid is sourced from PubChem (CID 8032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).