CID 174708541

H2Na2O9S3 — CID 174708541

IUPAC—
SMILESO=S(=O)([O-])[O-].O=S(O)S(=O)(=O)O.[Na+].[Na+]
InChIInChI=1S/2Na.H2O5S2.H2O4S/c;;1-6(2)7(3,4)5;1-5(2,3)4/h;;(H,1,2)(H,3,4,5);(H2,1,2,3,4)/q2*+1;;/p-2
InChIKeyQWCDFAWCPBWAFH-UHFFFAOYSA-L
MW288.19 g/mol
LogP-8.32
Rot. Bonds1

About CID 174708541

CID 174708541 (PubChem CID 174708541) has the molecular formula H2Na2O9S3 and a molecular weight of 288.19 g/mol.

Molecular Properties

Compound NameCID 174708541
PubChem CID174708541
Molecular FormulaH2Na2O9S3
Molecular Weight288.19 g/mol
Exact Mass287.87
IUPAC Name—
SMILESO=S(=O)([O-])[O-].O=S(O)S(=O)(=O)O.[Na+].[Na+]
InChIInChI=1S/2Na.H2O5S2.H2O4S/c;;1-6(2)7(3,4)5;1-5(2,3)4/h;;(H,1,2)(H,3,4,5);(H2,1,2,3,4)/q2*+1;;/p-2
InChIKeyQWCDFAWCPBWAFH-UHFFFAOYSA-L
XLogP-8.32
TPSA171.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 5-8.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174708541?
The IUPAC name of CID 174708541 (CID 174708541) is not available.
What is the SMILES notation for CID 174708541?
The canonical SMILES for CID 174708541 is O=S(=O)([O-])[O-].O=S(O)S(=O)(=O)O.[Na+].[Na+].
What is the InChIKey of CID 174708541?
The InChIKey is QWCDFAWCPBWAFH-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H2O5S2.H2O4S/c;;1-6(2)7(3,4)5;1-5(2,3)4/h;;(H,1,2)(H,3,4,5);(H2,1,2,3,4)/q2*+1;;/p-2.
What are the key properties of CID 174708541?
CID 174708541 has a molecular weight of 288.19 g/mol, XLogP of -8.32, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174708541 is sourced from PubChem (CID 174708541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).