dicalcium;sulfurous acid;disulfite

H2Ca2O9S3 — CID 174940805

IUPACdicalcium;sulfurous acid;disulfite
SMILESO=S(O)O.O=S([O-])[O-].O=S([O-])[O-].[Ca+2].[Ca+2]
InChIInChI=1S/2Ca.3H2O3S/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+2;;;/p-4
InChIKeyTWZJIQNVUQNPHM-UHFFFAOYSA-J
MW322.36 g/mol
LogP-3.09
Rot. Bonds

About dicalcium;sulfurous acid;disulfite

dicalcium;sulfurous acid;disulfite (PubChem CID 174940805) has the molecular formula H2Ca2O9S3 and a molecular weight of 322.36 g/mol. Its IUPAC name is dicalcium;sulfurous acid;disulfite.

Molecular Properties

Compound Namedicalcium;sulfurous acid;disulfite
PubChem CID174940805
Molecular FormulaH2Ca2O9S3
Molecular Weight322.36 g/mol
Exact Mass321.81
IUPAC Namedicalcium;sulfurous acid;disulfite
SMILESO=S(O)O.O=S([O-])[O-].O=S([O-])[O-].[Ca+2].[Ca+2]
InChIInChI=1S/2Ca.3H2O3S/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+2;;;/p-4
InChIKeyTWZJIQNVUQNPHM-UHFFFAOYSA-J
XLogP-3.09
TPSA183.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 5-3.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dicalcium;sulfurous acid;disulfite?
The IUPAC name of dicalcium;sulfurous acid;disulfite (CID 174940805) is dicalcium;sulfurous acid;disulfite.
What is the SMILES notation for dicalcium;sulfurous acid;disulfite?
The canonical SMILES for dicalcium;sulfurous acid;disulfite is O=S(O)O.O=S([O-])[O-].O=S([O-])[O-].[Ca+2].[Ca+2].
What is the InChIKey of dicalcium;sulfurous acid;disulfite?
The InChIKey is TWZJIQNVUQNPHM-UHFFFAOYSA-J. The full InChI is InChI=1S/2Ca.3H2O3S/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+2;;;/p-4.
What are the key properties of dicalcium;sulfurous acid;disulfite?
dicalcium;sulfurous acid;disulfite has a molecular weight of 322.36 g/mol, XLogP of -3.09, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;sulfurous acid;disulfite is sourced from PubChem (CID 174940805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).