calcium;azane;hydride;sulfane

H7CaNS — CID 174426830

IUPACcalcium;azane;hydride;sulfane
SMILESN.S.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H3N.H2S.2H/h;1H3;1H2;;/q+2;;;2*-1
InChIKeyVWNXQBMIPIHMTA-UHFFFAOYSA-N
MW93.21 g/mol
LogP0.12
Rot. Bonds

About calcium;azane;hydride;sulfane

calcium;azane;hydride;sulfane (PubChem CID 174426830) has the molecular formula H7CaNS and a molecular weight of 93.21 g/mol. Its IUPAC name is calcium;azane;hydride;sulfane.

Molecular Properties

Compound Namecalcium;azane;hydride;sulfane
PubChem CID174426830
Molecular FormulaH7CaNS
Molecular Weight93.21 g/mol
Exact Mass92.99
IUPAC Namecalcium;azane;hydride;sulfane
SMILESN.S.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.H3N.H2S.2H/h;1H3;1H2;;/q+2;;;2*-1
InChIKeyVWNXQBMIPIHMTA-UHFFFAOYSA-N
XLogP0.12
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of calcium;azane;hydride;sulfane?
The IUPAC name of calcium;azane;hydride;sulfane (CID 174426830) is calcium;azane;hydride;sulfane.
What is the SMILES notation for calcium;azane;hydride;sulfane?
The canonical SMILES for calcium;azane;hydride;sulfane is N.S.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;azane;hydride;sulfane?
The InChIKey is VWNXQBMIPIHMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H3N.H2S.2H/h;1H3;1H2;;/q+2;;;2*-1.
What are the key properties of calcium;azane;hydride;sulfane?
calcium;azane;hydride;sulfane has a molecular weight of 93.21 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;azane;hydride;sulfane is sourced from PubChem (CID 174426830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).