copper;indium(3+);thiophosphate

CuInO3PS+2 — CID 158417872

IUPACcopper;indium(3+);thiophosphate
SMILES[Cu+2].[In+3].[O-]P([O-])([O-])=S
InChIInChI=1S/Cu.In.H3O3PS/c;;1-4(2,3)5/h;;(H3,1,2,3,5)/q+2;+3;/p-3
InChIKeyHACVPBPJHIPGHT-UHFFFAOYSA-K
MW289.40 g/mol
LogP-3.09
Rot. Bonds

About copper;indium(3+);thiophosphate

copper;indium(3+);thiophosphate (PubChem CID 158417872) has the molecular formula CuInO3PS+2 and a molecular weight of 289.40 g/mol. Its IUPAC name is copper;indium(3+);thiophosphate.

Molecular Properties

Compound Namecopper;indium(3+);thiophosphate
PubChem CID158417872
Molecular FormulaCuInO3PS+2
Molecular Weight289.40 g/mol
Exact Mass288.76
IUPAC Namecopper;indium(3+);thiophosphate
SMILES[Cu+2].[In+3].[O-]P([O-])([O-])=S
InChIInChI=1S/Cu.In.H3O3PS/c;;1-4(2,3)5/h;;(H3,1,2,3,5)/q+2;+3;/p-3
InChIKeyHACVPBPJHIPGHT-UHFFFAOYSA-K
XLogP-3.09
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-3.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175310936
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Frequently Asked Questions

What is the IUPAC name of copper;indium(3+);thiophosphate?
The IUPAC name of copper;indium(3+);thiophosphate (CID 158417872) is copper;indium(3+);thiophosphate.
What is the SMILES notation for copper;indium(3+);thiophosphate?
The canonical SMILES for copper;indium(3+);thiophosphate is [Cu+2].[In+3].[O-]P([O-])([O-])=S.
What is the InChIKey of copper;indium(3+);thiophosphate?
The InChIKey is HACVPBPJHIPGHT-UHFFFAOYSA-K. The full InChI is InChI=1S/Cu.In.H3O3PS/c;;1-4(2,3)5/h;;(H3,1,2,3,5)/q+2;+3;/p-3.
What are the key properties of copper;indium(3+);thiophosphate?
copper;indium(3+);thiophosphate has a molecular weight of 289.40 g/mol, XLogP of -3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;indium(3+);thiophosphate is sourced from PubChem (CID 158417872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).