CID 174680550

H2O6S3Zn — CID 174680550

IUPAC—
SMILESO=S(=O)(O)SS(=O)(=O)O.[Zn]
InChIInChI=1S/H2O6S3.Zn/c1-8(2,3)7-9(4,5)6;/h(H,1,2,3)(H,4,5,6);
InChIKeyUQXDASJODXDGAL-UHFFFAOYSA-N
MW259.60 g/mol
LogP-0.68
Rot. Bonds2

About CID 174680550

CID 174680550 (PubChem CID 174680550) has the molecular formula H2O6S3Zn and a molecular weight of 259.60 g/mol.

Molecular Properties

Compound NameCID 174680550
PubChem CID174680550
Molecular FormulaH2O6S3Zn
Molecular Weight259.60 g/mol
Exact Mass257.83
IUPAC Name—
SMILESO=S(=O)(O)SS(=O)(=O)O.[Zn]
InChIInChI=1S/H2O6S3.Zn/c1-8(2,3)7-9(4,5)6;/h(H,1,2,3)(H,4,5,6);
InChIKeyUQXDASJODXDGAL-UHFFFAOYSA-N
XLogP-0.68
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.60
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174680550?
The IUPAC name of CID 174680550 (CID 174680550) is not available.
What is the SMILES notation for CID 174680550?
The canonical SMILES for CID 174680550 is O=S(=O)(O)SS(=O)(=O)O.[Zn].
What is the InChIKey of CID 174680550?
The InChIKey is UQXDASJODXDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O6S3.Zn/c1-8(2,3)7-9(4,5)6;/h(H,1,2,3)(H,4,5,6);.
What are the key properties of CID 174680550?
CID 174680550 has a molecular weight of 259.60 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174680550 is sourced from PubChem (CID 174680550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).