CID 162205520

H12BaO6S — CID 162205520

IUPAC—
SMILESO.O.O.O.O.OS.[Ba]
InChIInChI=1S/Ba.H2OS.5H2O/c;1-2;;;;;/h;1-2H;5*1H2
InChIKeyZSDGVAZHLZASOS-UHFFFAOYSA-N
MW277.49 g/mol
LogP-4.12
Rot. Bonds

About CID 162205520

CID 162205520 (PubChem CID 162205520) has the molecular formula H12BaO6S and a molecular weight of 277.49 g/mol.

Molecular Properties

Compound NameCID 162205520
PubChem CID162205520
Molecular FormulaH12BaO6S
Molecular Weight277.49 g/mol
Exact Mass277.94
IUPAC Name—
SMILESO.O.O.O.O.OS.[Ba]
InChIInChI=1S/Ba.H2OS.5H2O/c;1-2;;;;;/h;1-2H;5*1H2
InChIKeyZSDGVAZHLZASOS-UHFFFAOYSA-N
XLogP-4.12
TPSA177.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.49
LogP ≤ 5-4.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162205520?
The IUPAC name of CID 162205520 (CID 162205520) is not available.
What is the SMILES notation for CID 162205520?
The canonical SMILES for CID 162205520 is O.O.O.O.O.OS.[Ba].
What is the InChIKey of CID 162205520?
The InChIKey is ZSDGVAZHLZASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.H2OS.5H2O/c;1-2;;;;;/h;1-2H;5*1H2.
What are the key properties of CID 162205520?
CID 162205520 has a molecular weight of 277.49 g/mol, XLogP of -4.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162205520 is sourced from PubChem (CID 162205520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).