calcium;magnesium;azane;hydride;iron;silane;sulfane

H13CaFeMgNSSi — CID 174528538

IUPACcalcium;magnesium;azane;hydride;iron;silane;sulfane
SMILESN.S.[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2].[SiH4]
InChIInChI=1S/Ca.Fe.Mg.H3N.H2S.H4Si.4H/h;;;1H3;1H2;1H4;;;;/q+2;;+2;;;;4*-1
InChIKeyGTRGIEKPGGNJKT-UHFFFAOYSA-N
MW207.49 g/mol
LogP-1.49
Rot. Bonds

About calcium;magnesium;azane;hydride;iron;silane;sulfane

calcium;magnesium;azane;hydride;iron;silane;sulfane (PubChem CID 174528538) has the molecular formula H13CaFeMgNSSi and a molecular weight of 207.49 g/mol. Its IUPAC name is calcium;magnesium;azane;hydride;iron;silane;sulfane.

Molecular Properties

Compound Namecalcium;magnesium;azane;hydride;iron;silane;sulfane
PubChem CID174528538
Molecular FormulaH13CaFeMgNSSi
Molecular Weight207.49 g/mol
Exact Mass206.94
IUPAC Namecalcium;magnesium;azane;hydride;iron;silane;sulfane
SMILESN.S.[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2].[SiH4]
InChIInChI=1S/Ca.Fe.Mg.H3N.H2S.H4Si.4H/h;;;1H3;1H2;1H4;;;;/q+2;;+2;;;;4*-1
InChIKeyGTRGIEKPGGNJKT-UHFFFAOYSA-N
XLogP-1.49
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.49
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 175126238
magnesium;azane;hydride;lanthanum;silane
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magnesium;chromium;hydride;iron;molybdenum;nickel;phosphane;sulfane
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CID 172784139

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;azane;hydride;iron;silane;sulfane?
The IUPAC name of calcium;magnesium;azane;hydride;iron;silane;sulfane (CID 174528538) is calcium;magnesium;azane;hydride;iron;silane;sulfane.
What is the SMILES notation for calcium;magnesium;azane;hydride;iron;silane;sulfane?
The canonical SMILES for calcium;magnesium;azane;hydride;iron;silane;sulfane is N.S.[Ca+2].[Fe].[H-].[H-].[H-].[H-].[Mg+2].[SiH4].
What is the InChIKey of calcium;magnesium;azane;hydride;iron;silane;sulfane?
The InChIKey is GTRGIEKPGGNJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Fe.Mg.H3N.H2S.H4Si.4H/h;;;1H3;1H2;1H4;;;;/q+2;;+2;;;;4*-1.
What are the key properties of calcium;magnesium;azane;hydride;iron;silane;sulfane?
calcium;magnesium;azane;hydride;iron;silane;sulfane has a molecular weight of 207.49 g/mol, XLogP of -1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;azane;hydride;iron;silane;sulfane is sourced from PubChem (CID 174528538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).