CID 23615458

BeO4S-2 — CID 23615458

IUPAC—
SMILESO=S(=O)([O-])[O-].[Be]
InChIInChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/p-2
InChIKeyILZUVMDSMZZEPE-UHFFFAOYSA-L
MW105.07 g/mol
LogP-1.72
Rot. Bonds

About CID 23615458

CID 23615458 (PubChem CID 23615458) has the molecular formula BeO4S-2 and a molecular weight of 105.07 g/mol.

Molecular Properties

Compound NameCID 23615458
PubChem CID23615458
Molecular FormulaBeO4S-2
Molecular Weight105.07 g/mol
Exact Mass104.97
IUPAC Name—
SMILESO=S(=O)([O-])[O-].[Be]
InChIInChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/p-2
InChIKeyILZUVMDSMZZEPE-UHFFFAOYSA-L
XLogP-1.72
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.07
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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strontium sulfate
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CID 6365199
CID 6365199

Frequently Asked Questions

What is the IUPAC name of CID 23615458?
The IUPAC name of CID 23615458 (CID 23615458) is not available.
What is the SMILES notation for CID 23615458?
The canonical SMILES for CID 23615458 is O=S(=O)([O-])[O-].[Be].
What is the InChIKey of CID 23615458?
The InChIKey is ILZUVMDSMZZEPE-UHFFFAOYSA-L. The full InChI is InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/p-2.
What are the key properties of CID 23615458?
CID 23615458 has a molecular weight of 105.07 g/mol, XLogP of -1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23615458 is sourced from PubChem (CID 23615458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).