CID 159284729

C2H6Na2O8S2 — CID 159284729

IUPAC—
SMILESCCOS(=O)(=O)OS(=O)(=O)OO.[Na].[Na]
InChIInChI=1S/C2H6O8S2.2Na/c1-2-8-11(4,5)10-12(6,7)9-3;;/h3H,2H2,1H3;;
InChIKeyKZJDNWUHRKRVMN-UHFFFAOYSA-N
MW268.18 g/mol
LogP-1.74
Rot. Bonds5

About CID 159284729

CID 159284729 (PubChem CID 159284729) has the molecular formula C2H6Na2O8S2 and a molecular weight of 268.18 g/mol.

Molecular Properties

Compound NameCID 159284729
PubChem CID159284729
Molecular FormulaC2H6Na2O8S2
Molecular Weight268.18 g/mol
Exact Mass267.93
IUPAC Name—
SMILESCCOS(=O)(=O)OS(=O)(=O)OO.[Na].[Na]
InChIInChI=1S/C2H6O8S2.2Na/c1-2-8-11(4,5)10-12(6,7)9-3;;/h3H,2H2,1H3;;
InChIKeyKZJDNWUHRKRVMN-UHFFFAOYSA-N
XLogP-1.74
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159284729?
The IUPAC name of CID 159284729 (CID 159284729) is not available.
What is the SMILES notation for CID 159284729?
The canonical SMILES for CID 159284729 is CCOS(=O)(=O)OS(=O)(=O)OO.[Na].[Na].
What is the InChIKey of CID 159284729?
The InChIKey is KZJDNWUHRKRVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O8S2.2Na/c1-2-8-11(4,5)10-12(6,7)9-3;;/h3H,2H2,1H3;;.
What are the key properties of CID 159284729?
CID 159284729 has a molecular weight of 268.18 g/mol, XLogP of -1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159284729 is sourced from PubChem (CID 159284729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).