CID 162187212

H2Na2O6S2 — CID 162187212

IUPAC—
SMILESO=S([O-])S(=O)[O-].OO.[Na+].[Na+]
InChIInChI=1S/2Na.H2O4S2.H2O2/c;;1-5(2)6(3)4;1-2/h;;(H,1,2)(H,3,4);1-2H/q2*+1;;/p-2
InChIKeyZPUUZEFYQOXMEH-UHFFFAOYSA-L
MW208.12 g/mol
LogP-7.32
Rot. Bonds1

About CID 162187212

CID 162187212 (PubChem CID 162187212) has the molecular formula H2Na2O6S2 and a molecular weight of 208.12 g/mol.

Molecular Properties

Compound NameCID 162187212
PubChem CID162187212
Molecular FormulaH2Na2O6S2
Molecular Weight208.12 g/mol
Exact Mass207.91
IUPAC Name—
SMILESO=S([O-])S(=O)[O-].OO.[Na+].[Na+]
InChIInChI=1S/2Na.H2O4S2.H2O2/c;;1-5(2)6(3)4;1-2/h;;(H,1,2)(H,3,4);1-2H/q2*+1;;/p-2
InChIKeyZPUUZEFYQOXMEH-UHFFFAOYSA-L
XLogP-7.32
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 5-7.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162187212?
The IUPAC name of CID 162187212 (CID 162187212) is not available.
What is the SMILES notation for CID 162187212?
The canonical SMILES for CID 162187212 is O=S([O-])S(=O)[O-].OO.[Na+].[Na+].
What is the InChIKey of CID 162187212?
The InChIKey is ZPUUZEFYQOXMEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H2O4S2.H2O2/c;;1-5(2)6(3)4;1-2/h;;(H,1,2)(H,3,4);1-2H/q2*+1;;/p-2.
What are the key properties of CID 162187212?
CID 162187212 has a molecular weight of 208.12 g/mol, XLogP of -7.32, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162187212 is sourced from PubChem (CID 162187212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).