ethane-1,2-disulfonic acid;dihydrate

C2H10O8S2 — CID 57346009

IUPACethane-1,2-disulfonic acid;dihydrate
SMILESO.O.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C2H6O6S2.2H2O/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);2*1H2
InChIKeyDSGUSEBCDAKBCM-UHFFFAOYSA-N
MW226.23 g/mol
LogP-2.89
Rot. Bonds3

About ethane-1,2-disulfonic acid;dihydrate

ethane-1,2-disulfonic acid;dihydrate (PubChem CID 57346009) has the molecular formula C2H10O8S2 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethane-1,2-disulfonic acid;dihydrate.

Molecular Properties

Compound Nameethane-1,2-disulfonic acid;dihydrate
PubChem CID57346009
Molecular FormulaC2H10O8S2
Molecular Weight226.23 g/mol
Exact Mass225.98
IUPAC Nameethane-1,2-disulfonic acid;dihydrate
SMILESO.O.O=S(=O)(O)CCS(=O)(=O)O
InChIInChI=1S/C2H6O6S2.2H2O/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);2*1H2
InChIKeyDSGUSEBCDAKBCM-UHFFFAOYSA-N
XLogP-2.89
TPSA171.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-2.89
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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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-disulfonic acid;dihydrate?
The IUPAC name of ethane-1,2-disulfonic acid;dihydrate (CID 57346009) is ethane-1,2-disulfonic acid;dihydrate.
What is the SMILES notation for ethane-1,2-disulfonic acid;dihydrate?
The canonical SMILES for ethane-1,2-disulfonic acid;dihydrate is O.O.O=S(=O)(O)CCS(=O)(=O)O.
What is the InChIKey of ethane-1,2-disulfonic acid;dihydrate?
The InChIKey is DSGUSEBCDAKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S2.2H2O/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);2*1H2.
What are the key properties of ethane-1,2-disulfonic acid;dihydrate?
ethane-1,2-disulfonic acid;dihydrate has a molecular weight of 226.23 g/mol, XLogP of -2.89, 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;dihydrate is sourced from PubChem (CID 57346009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).