barium(2+);hydride;thiourea;hydrate

CH8BaN2OS — CID 175350134

IUPACbarium(2+);hydride;thiourea;hydrate
SMILESNC(N)=S.O.[Ba+2].[H-].[H-]
InChIInChI=1S/CH4N2S.Ba.H2O.2H/c2-1(3)4;;;;/h(H4,2,3,4);;1H2;;/q;+2;;2*-1
InChIKeyZAWMHJHDFKKVKT-UHFFFAOYSA-N
MW233.48 g/mol
LogP-1.79
Rot. Bonds

About barium(2+);hydride;thiourea;hydrate

barium(2+);hydride;thiourea;hydrate (PubChem CID 175350134) has the molecular formula CH8BaN2OS and a molecular weight of 233.48 g/mol. Its IUPAC name is barium(2+);hydride;thiourea;hydrate.

Molecular Properties

Compound Namebarium(2+);hydride;thiourea;hydrate
PubChem CID175350134
Molecular FormulaCH8BaN2OS
Molecular Weight233.48 g/mol
Exact Mass233.94
IUPAC Namebarium(2+);hydride;thiourea;hydrate
SMILESNC(N)=S.O.[Ba+2].[H-].[H-]
InChIInChI=1S/CH4N2S.Ba.H2O.2H/c2-1(3)4;;;;/h(H4,2,3,4);;1H2;;/q;+2;;2*-1
InChIKeyZAWMHJHDFKKVKT-UHFFFAOYSA-N
XLogP-1.79
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.48
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;thiourea;hydrate?
The IUPAC name of barium(2+);hydride;thiourea;hydrate (CID 175350134) is barium(2+);hydride;thiourea;hydrate.
What is the SMILES notation for barium(2+);hydride;thiourea;hydrate?
The canonical SMILES for barium(2+);hydride;thiourea;hydrate is NC(N)=S.O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;thiourea;hydrate?
The InChIKey is ZAWMHJHDFKKVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2S.Ba.H2O.2H/c2-1(3)4;;;;/h(H4,2,3,4);;1H2;;/q;+2;;2*-1.
What are the key properties of barium(2+);hydride;thiourea;hydrate?
barium(2+);hydride;thiourea;hydrate has a molecular weight of 233.48 g/mol, XLogP of -1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;thiourea;hydrate is sourced from PubChem (CID 175350134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).