calcium;silanide;sulfate;dihydrate

H7CaO6SSi- — CID 175798030

IUPACcalcium;silanide;sulfate;dihydrate
SMILESO.O.O=S(=O)([O-])[O-].[Ca+2].[SiH3-]
InChIInChI=1S/Ca.H2O4S.2H2O.H3Si/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);2*1H2;1H3/q+2;;;;-1/p-2
InChIKeyUYJGZAMNWADYIJ-UHFFFAOYSA-L
MW203.28 g/mol
LogP-4.55
Rot. Bonds

About calcium;silanide;sulfate;dihydrate

calcium;silanide;sulfate;dihydrate (PubChem CID 175798030) has the molecular formula H7CaO6SSi- and a molecular weight of 203.28 g/mol. Its IUPAC name is calcium;silanide;sulfate;dihydrate.

Molecular Properties

Compound Namecalcium;silanide;sulfate;dihydrate
PubChem CID175798030
Molecular FormulaH7CaO6SSi-
Molecular Weight203.28 g/mol
Exact Mass202.94
IUPAC Namecalcium;silanide;sulfate;dihydrate
SMILESO.O.O=S(=O)([O-])[O-].[Ca+2].[SiH3-]
InChIInChI=1S/Ca.H2O4S.2H2O.H3Si/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);2*1H2;1H3/q+2;;;;-1/p-2
InChIKeyUYJGZAMNWADYIJ-UHFFFAOYSA-L
XLogP-4.55
TPSA143.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-4.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium;sulfate;heptahydrate
CID 140700884
dicalcium;hydroxide;sulfate;hydrate
CID 160810730
molybdenum trisulfate
CID 23513550
dicalcium;sulfate
CID 23431966
sulfate trihydrate
CID 22613957
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
bis(ytterbium(3+));trisulfate;octahydrate
CID 25022290
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103
sodium;sulfate;heptahydrate
CID 18522796
copper;disulfate;hydrate
CID 44601134

Frequently Asked Questions

What is the IUPAC name of calcium;silanide;sulfate;dihydrate?
The IUPAC name of calcium;silanide;sulfate;dihydrate (CID 175798030) is calcium;silanide;sulfate;dihydrate.
What is the SMILES notation for calcium;silanide;sulfate;dihydrate?
The canonical SMILES for calcium;silanide;sulfate;dihydrate is O.O.O=S(=O)([O-])[O-].[Ca+2].[SiH3-].
What is the InChIKey of calcium;silanide;sulfate;dihydrate?
The InChIKey is UYJGZAMNWADYIJ-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.H2O4S.2H2O.H3Si/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);2*1H2;1H3/q+2;;;;-1/p-2.
What are the key properties of calcium;silanide;sulfate;dihydrate?
calcium;silanide;sulfate;dihydrate has a molecular weight of 203.28 g/mol, XLogP of -4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;silanide;sulfate;dihydrate is sourced from PubChem (CID 175798030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).