calcium;sulfite;dihydrate

H4CaO5S — CID 23448497

IUPACcalcium;sulfite;dihydrate
SMILESO.O.O=S([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.H2O3S.2H2O/c;1-4(2)3;;/h;(H2,1,2,3);2*1H2/q+2;;;/p-2
InChIKeyBPOLZZDJHZCCQQ-UHFFFAOYSA-L
MW156.17 g/mol
LogP-3.03
Rot. Bonds

About calcium;sulfite;dihydrate

calcium;sulfite;dihydrate (PubChem CID 23448497) has the molecular formula H4CaO5S and a molecular weight of 156.17 g/mol. Its IUPAC name is calcium;sulfite;dihydrate.

Molecular Properties

Compound Namecalcium;sulfite;dihydrate
PubChem CID23448497
Molecular FormulaH4CaO5S
Molecular Weight156.17 g/mol
Exact Mass155.94
IUPAC Namecalcium;sulfite;dihydrate
SMILESO.O.O=S([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.H2O3S.2H2O/c;1-4(2)3;;/h;(H2,1,2,3);2*1H2/q+2;;;/p-2
InChIKeyBPOLZZDJHZCCQQ-UHFFFAOYSA-L
XLogP-3.03
TPSA126.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 5-3.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;sulfite;hexahydrate
CID 158498638
sodium;sulfite;hydrate
CID 19366461
calcium;magnesium;disulfite
CID 22465809
chromium(2+) sulfite
CID 22462027
cobalt(2+) sulfite
CID 18760923
ruthenium(2+) sulfite
CID 22610794
dicopper disulfite
CID 170844287
disodium;sulfite
CID 516934
bis(lutetium(3+));trisulfite
CID 159878392
dicalcium;sulfurous acid;disulfite
CID 174940805
hydron;iron(2+);sulfite
CID 20545645
CID 21271989
CID 21271989

Frequently Asked Questions

What is the IUPAC name of calcium;sulfite;dihydrate?
The IUPAC name of calcium;sulfite;dihydrate (CID 23448497) is calcium;sulfite;dihydrate.
What is the SMILES notation for calcium;sulfite;dihydrate?
The canonical SMILES for calcium;sulfite;dihydrate is O.O.O=S([O-])[O-].[Ca+2].
What is the InChIKey of calcium;sulfite;dihydrate?
The InChIKey is BPOLZZDJHZCCQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.H2O3S.2H2O/c;1-4(2)3;;/h;(H2,1,2,3);2*1H2/q+2;;;/p-2.
What are the key properties of calcium;sulfite;dihydrate?
calcium;sulfite;dihydrate has a molecular weight of 156.17 g/mol, XLogP of -3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sulfite;dihydrate is sourced from PubChem (CID 23448497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).