calcium;magnesium;disulfide

CaMgS2 — CID 159943351

IUPACcalcium;magnesium;disulfide
SMILES[Ca+2].[Mg+2].[S-2].[S-2]
InChIInChI=1S/Ca.Mg.2S/q2*+2;2*-2
InChIKeyOBEBDWYXTYCYGH-UHFFFAOYSA-N
MW128.52 g/mol
LogP-0.77
Rot. Bonds

About calcium;magnesium;disulfide

calcium;magnesium;disulfide (PubChem CID 159943351) has the molecular formula CaMgS2 and a molecular weight of 128.52 g/mol. Its IUPAC name is calcium;magnesium;disulfide.

Molecular Properties

Compound Namecalcium;magnesium;disulfide
PubChem CID159943351
Molecular FormulaCaMgS2
Molecular Weight128.52 g/mol
Exact Mass127.89
IUPAC Namecalcium;magnesium;disulfide
SMILES[Ca+2].[Mg+2].[S-2].[S-2]
InChIInChI=1S/Ca.Mg.2S/q2*+2;2*-2
InChIKeyOBEBDWYXTYCYGH-UHFFFAOYSA-N
XLogP-0.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.52
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;disulfide?
The IUPAC name of calcium;magnesium;disulfide (CID 159943351) is calcium;magnesium;disulfide.
What is the SMILES notation for calcium;magnesium;disulfide?
The canonical SMILES for calcium;magnesium;disulfide is [Ca+2].[Mg+2].[S-2].[S-2].
What is the InChIKey of calcium;magnesium;disulfide?
The InChIKey is OBEBDWYXTYCYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Mg.2S/q2*+2;2*-2.
What are the key properties of calcium;magnesium;disulfide?
calcium;magnesium;disulfide has a molecular weight of 128.52 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;disulfide is sourced from PubChem (CID 159943351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).