copper;carbamate;thiophosphate

CH2CuNO5PS-4 — CID 157426335

IUPACcopper;carbamate;thiophosphate
SMILESNC(=O)[O-].[Cu].[O-]P([O-])([O-])=S
InChIInChI=1S/CH3NO2.Cu.H3O3PS/c2-1(3)4;;1-4(2,3)5/h2H2,(H,3,4);;(H3,1,2,3,5)/p-4
InChIKeyIUIBGOPYUSBDMM-UHFFFAOYSA-J
MW234.62 g/mol
LogP-4.42
Rot. Bonds

About copper;carbamate;thiophosphate

copper;carbamate;thiophosphate (PubChem CID 157426335) has the molecular formula CH2CuNO5PS-4 and a molecular weight of 234.62 g/mol. Its IUPAC name is copper;carbamate;thiophosphate.

Molecular Properties

Compound Namecopper;carbamate;thiophosphate
PubChem CID157426335
Molecular FormulaCH2CuNO5PS-4
Molecular Weight234.62 g/mol
Exact Mass233.87
IUPAC Namecopper;carbamate;thiophosphate
SMILESNC(=O)[O-].[Cu].[O-]P([O-])([O-])=S
InChIInChI=1S/CH3NO2.Cu.H3O3PS/c2-1(3)4;;1-4(2,3)5/h2H2,(H,3,4);;(H3,1,2,3,5)/p-4
InChIKeyIUIBGOPYUSBDMM-UHFFFAOYSA-J
XLogP-4.42
TPSA135.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.62
LogP ≤ 5-4.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper;carbamate;thiophosphate?
The IUPAC name of copper;carbamate;thiophosphate (CID 157426335) is copper;carbamate;thiophosphate.
What is the SMILES notation for copper;carbamate;thiophosphate?
The canonical SMILES for copper;carbamate;thiophosphate is NC(=O)[O-].[Cu].[O-]P([O-])([O-])=S.
What is the InChIKey of copper;carbamate;thiophosphate?
The InChIKey is IUIBGOPYUSBDMM-UHFFFAOYSA-J. The full InChI is InChI=1S/CH3NO2.Cu.H3O3PS/c2-1(3)4;;1-4(2,3)5/h2H2,(H,3,4);;(H3,1,2,3,5)/p-4.
What are the key properties of copper;carbamate;thiophosphate?
copper;carbamate;thiophosphate has a molecular weight of 234.62 g/mol, XLogP of -4.42, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;carbamate;thiophosphate is sourced from PubChem (CID 157426335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).