1,2-dihydroxyethane-1,2-disulfinic acid

C2H6O6S2 — CID 87186532

IUPAC1,2-dihydroxyethane-1,2-disulfinic acid
SMILESO=S(O)C(O)C(O)S(=O)O
InChIInChI=1S/C2H6O6S2/c3-1(9(5)6)2(4)10(7)8/h1-4H,(H,5,6)(H,7,8)
InChIKeyCIBDMXDQJXVTQJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.93
Rot. Bonds3

About 1,2-dihydroxyethane-1,2-disulfinic acid

1,2-dihydroxyethane-1,2-disulfinic acid (PubChem CID 87186532) has the molecular formula C2H6O6S2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1,2-dihydroxyethane-1,2-disulfinic acid.

Molecular Properties

Compound Name1,2-dihydroxyethane-1,2-disulfinic acid
PubChem CID87186532
Molecular FormulaC2H6O6S2
Molecular Weight190.20 g/mol
Exact Mass189.96
IUPAC Name1,2-dihydroxyethane-1,2-disulfinic acid
SMILESO=S(O)C(O)C(O)S(=O)O
InChIInChI=1S/C2H6O6S2/c3-1(9(5)6)2(4)10(7)8/h1-4H,(H,5,6)(H,7,8)
InChIKeyCIBDMXDQJXVTQJ-UHFFFAOYSA-N
XLogP-1.93
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxyethane-1,2-disulfinic acid?
The IUPAC name of 1,2-dihydroxyethane-1,2-disulfinic acid (CID 87186532) is 1,2-dihydroxyethane-1,2-disulfinic acid.
What is the SMILES notation for 1,2-dihydroxyethane-1,2-disulfinic acid?
The canonical SMILES for 1,2-dihydroxyethane-1,2-disulfinic acid is O=S(O)C(O)C(O)S(=O)O.
What is the InChIKey of 1,2-dihydroxyethane-1,2-disulfinic acid?
The InChIKey is CIBDMXDQJXVTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S2/c3-1(9(5)6)2(4)10(7)8/h1-4H,(H,5,6)(H,7,8).
What are the key properties of 1,2-dihydroxyethane-1,2-disulfinic acid?
1,2-dihydroxyethane-1,2-disulfinic acid has a molecular weight of 190.20 g/mol, XLogP of -1.93, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxyethane-1,2-disulfinic acid is sourced from PubChem (CID 87186532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).