aluminum;oxygen(2-);sulfane;hydroxide;hydrate

H5AlO3S — CID 172798311

IUPACaluminum;oxygen(2-);sulfane;hydroxide;hydrate
SMILESO.S.[Al+3].[O-2].[OH-]
InChIInChI=1S/Al.2H2O.O.H2S/h;2*1H2;;1H2/q+3;;;-2;/p-1
InChIKeyQMVWWPIJZAORTR-UHFFFAOYSA-M
MW112.09 g/mol
LogP-1.39
Rot. Bonds

About aluminum;oxygen(2-);sulfane;hydroxide;hydrate

aluminum;oxygen(2-);sulfane;hydroxide;hydrate (PubChem CID 172798311) has the molecular formula H5AlO3S and a molecular weight of 112.09 g/mol. Its IUPAC name is aluminum;oxygen(2-);sulfane;hydroxide;hydrate.

Molecular Properties

Compound Namealuminum;oxygen(2-);sulfane;hydroxide;hydrate
PubChem CID172798311
Molecular FormulaH5AlO3S
Molecular Weight112.09 g/mol
Exact Mass111.98
IUPAC Namealuminum;oxygen(2-);sulfane;hydroxide;hydrate
SMILESO.S.[Al+3].[O-2].[OH-]
InChIInChI=1S/Al.2H2O.O.H2S/h;2*1H2;;1H2/q+3;;;-2;/p-1
InChIKeyQMVWWPIJZAORTR-UHFFFAOYSA-M
XLogP-1.39
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of aluminum;oxygen(2-);sulfane;hydroxide;hydrate?
The IUPAC name of aluminum;oxygen(2-);sulfane;hydroxide;hydrate (CID 172798311) is aluminum;oxygen(2-);sulfane;hydroxide;hydrate.
What is the SMILES notation for aluminum;oxygen(2-);sulfane;hydroxide;hydrate?
The canonical SMILES for aluminum;oxygen(2-);sulfane;hydroxide;hydrate is O.S.[Al+3].[O-2].[OH-].
What is the InChIKey of aluminum;oxygen(2-);sulfane;hydroxide;hydrate?
The InChIKey is QMVWWPIJZAORTR-UHFFFAOYSA-M. The full InChI is InChI=1S/Al.2H2O.O.H2S/h;2*1H2;;1H2/q+3;;;-2;/p-1.
What are the key properties of aluminum;oxygen(2-);sulfane;hydroxide;hydrate?
aluminum;oxygen(2-);sulfane;hydroxide;hydrate has a molecular weight of 112.09 g/mol, XLogP of -1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;oxygen(2-);sulfane;hydroxide;hydrate is sourced from PubChem (CID 172798311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).