barium(2+);sulfide;hydrate

H2BaOS — CID 173457615

IUPACbarium(2+);sulfide;hydrate
SMILESO.[Ba+2].[S-2]
InChIInChI=1S/Ba.H2O.S/h;1H2;/q+2;;-2
InChIKeyYQKSWYVHIXRUMT-UHFFFAOYSA-N
MW187.41 g/mol
LogP-1.21
Rot. Bonds

About barium(2+);sulfide;hydrate

barium(2+);sulfide;hydrate (PubChem CID 173457615) has the molecular formula H2BaOS and a molecular weight of 187.41 g/mol. Its IUPAC name is barium(2+);sulfide;hydrate.

Molecular Properties

Compound Namebarium(2+);sulfide;hydrate
PubChem CID173457615
Molecular FormulaH2BaOS
Molecular Weight187.41 g/mol
Exact Mass187.89
IUPAC Namebarium(2+);sulfide;hydrate
SMILESO.[Ba+2].[S-2]
InChIInChI=1S/Ba.H2O.S/h;1H2;/q+2;;-2
InChIKeyYQKSWYVHIXRUMT-UHFFFAOYSA-N
XLogP-1.21
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.41
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of barium(2+);sulfide;hydrate?
The IUPAC name of barium(2+);sulfide;hydrate (CID 173457615) is barium(2+);sulfide;hydrate.
What is the SMILES notation for barium(2+);sulfide;hydrate?
The canonical SMILES for barium(2+);sulfide;hydrate is O.[Ba+2].[S-2].
What is the InChIKey of barium(2+);sulfide;hydrate?
The InChIKey is YQKSWYVHIXRUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.H2O.S/h;1H2;/q+2;;-2.
What are the key properties of barium(2+);sulfide;hydrate?
barium(2+);sulfide;hydrate has a molecular weight of 187.41 g/mol, XLogP of -1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);sulfide;hydrate is sourced from PubChem (CID 173457615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).