CID 172712216

H2CaMgS — CID 172712216

IUPAC—
SMILESS.[Ca].[Mg]
InChIInChI=1S/Ca.Mg.H2S/h;;1H2
InChIKeyQTBDEAZNZWJEJA-UHFFFAOYSA-N
MW98.47 g/mol
LogP-0.65
Rot. Bonds

About CID 172712216

CID 172712216 (PubChem CID 172712216) has the molecular formula H2CaMgS and a molecular weight of 98.47 g/mol.

Molecular Properties

Compound NameCID 172712216
PubChem CID172712216
Molecular FormulaH2CaMgS
Molecular Weight98.47 g/mol
Exact Mass97.94
IUPAC Name—
SMILESS.[Ca].[Mg]
InChIInChI=1S/Ca.Mg.H2S/h;;1H2
InChIKeyQTBDEAZNZWJEJA-UHFFFAOYSA-N
XLogP-0.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.47
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 172712216?
The IUPAC name of CID 172712216 (CID 172712216) is not available.
What is the SMILES notation for CID 172712216?
The canonical SMILES for CID 172712216 is S.[Ca].[Mg].
What is the InChIKey of CID 172712216?
The InChIKey is QTBDEAZNZWJEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Mg.H2S/h;;1H2.
What are the key properties of CID 172712216?
CID 172712216 has a molecular weight of 98.47 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172712216 is sourced from PubChem (CID 172712216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).