CID 172807772

Cs2O6S2 — CID 172807772

IUPAC—
SMILESO=S(=O)([O-])S(=O)(=O)[O-].[Cs+].[Cs+]
InChIInChI=1S/2Cs.H2O6S2/c;;1-7(2,3)8(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKeyRTDXDISKPTVEOU-UHFFFAOYSA-L
MW425.94 g/mol
LogP-8.00
Rot. Bonds1

About CID 172807772

CID 172807772 (PubChem CID 172807772) has the molecular formula Cs2O6S2 and a molecular weight of 425.94 g/mol.

Molecular Properties

Compound NameCID 172807772
PubChem CID172807772
Molecular FormulaCs2O6S2
Molecular Weight425.94 g/mol
Exact Mass425.72
IUPAC Name—
SMILESO=S(=O)([O-])S(=O)(=O)[O-].[Cs+].[Cs+]
InChIInChI=1S/2Cs.H2O6S2/c;;1-7(2,3)8(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChIKeyRTDXDISKPTVEOU-UHFFFAOYSA-L
XLogP-8.00
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 5-8.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172807772?
The IUPAC name of CID 172807772 (CID 172807772) is not available.
What is the SMILES notation for CID 172807772?
The canonical SMILES for CID 172807772 is O=S(=O)([O-])S(=O)(=O)[O-].[Cs+].[Cs+].
What is the InChIKey of CID 172807772?
The InChIKey is RTDXDISKPTVEOU-UHFFFAOYSA-L. The full InChI is InChI=1S/2Cs.H2O6S2/c;;1-7(2,3)8(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2.
What are the key properties of CID 172807772?
CID 172807772 has a molecular weight of 425.94 g/mol, XLogP of -8.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172807772 is sourced from PubChem (CID 172807772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).