Sodium sulfosuccinic acid

C4H6NaO7S — CID 86739946

IUPAC—
SMILESO=C(O)CC(C(=O)O)S(=O)(=O)O.[Na]
InChIInChI=1S/C4H6O7S.Na/c5-3(6)1-2(4(7)8)12(9,10)11;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);
InChIKeyRTVVXRKGQRRXFJ-UHFFFAOYSA-N
MW221.14 g/mol
LogP-1.58
Rot. Bonds4

About Sodium sulfosuccinic acid

Sodium sulfosuccinic acid (PubChem CID 86739946) has the molecular formula C4H6NaO7S and a molecular weight of 221.14 g/mol.

Molecular Properties

Compound NameSodium sulfosuccinic acid
PubChem CID86739946
Molecular FormulaC4H6NaO7S
Molecular Weight221.14 g/mol
Exact Mass220.97
IUPAC Name—
SMILESO=C(O)CC(C(=O)O)S(=O)(=O)O.[Na]
InChIInChI=1S/C4H6O7S.Na/c5-3(6)1-2(4(7)8)12(9,10)11;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);
InChIKeyRTVVXRKGQRRXFJ-UHFFFAOYSA-N
XLogP-1.58
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
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 Sodium sulfosuccinic acid?
The IUPAC name of Sodium sulfosuccinic acid (CID 86739946) is not available.
What is the SMILES notation for Sodium sulfosuccinic acid?
The canonical SMILES for Sodium sulfosuccinic acid is O=C(O)CC(C(=O)O)S(=O)(=O)O.[Na].
What is the InChIKey of Sodium sulfosuccinic acid?
The InChIKey is RTVVXRKGQRRXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O7S.Na/c5-3(6)1-2(4(7)8)12(9,10)11;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);.
What are the key properties of Sodium sulfosuccinic acid?
Sodium sulfosuccinic acid has a molecular weight of 221.14 g/mol, XLogP of -1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium sulfosuccinic acid is sourced from PubChem (CID 86739946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).