copper;O-ethyl N-methylcarbamothioate

C4H9CuNOS — CID 88806110

IUPACcopper;O-ethyl N-methylcarbamothioate
SMILESCCOC(=S)NC.[Cu]
InChIInChI=1S/C4H9NOS.Cu/c1-3-6-4(7)5-2;/h3H2,1-2H3,(H,5,7);
InChIKeyQNAKTAABWFVWKH-UHFFFAOYSA-N
MW182.73 g/mol
LogP0.52
Rot. Bonds1

About copper;O-ethyl N-methylcarbamothioate

copper;O-ethyl N-methylcarbamothioate (PubChem CID 88806110) has the molecular formula C4H9CuNOS and a molecular weight of 182.73 g/mol. Its IUPAC name is copper;O-ethyl N-methylcarbamothioate.

Molecular Properties

Compound Namecopper;O-ethyl N-methylcarbamothioate
PubChem CID88806110
Molecular FormulaC4H9CuNOS
Molecular Weight182.73 g/mol
Exact Mass181.97
IUPAC Namecopper;O-ethyl N-methylcarbamothioate
SMILESCCOC(=S)NC.[Cu]
InChIInChI=1S/C4H9NOS.Cu/c1-3-6-4(7)5-2;/h3H2,1-2H3,(H,5,7);
InChIKeyQNAKTAABWFVWKH-UHFFFAOYSA-N
XLogP0.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.73
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;O-ethyl N-methylcarbamothioate?
The IUPAC name of copper;O-ethyl N-methylcarbamothioate (CID 88806110) is copper;O-ethyl N-methylcarbamothioate.
What is the SMILES notation for copper;O-ethyl N-methylcarbamothioate?
The canonical SMILES for copper;O-ethyl N-methylcarbamothioate is CCOC(=S)NC.[Cu].
What is the InChIKey of copper;O-ethyl N-methylcarbamothioate?
The InChIKey is QNAKTAABWFVWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS.Cu/c1-3-6-4(7)5-2;/h3H2,1-2H3,(H,5,7);.
What are the key properties of copper;O-ethyl N-methylcarbamothioate?
copper;O-ethyl N-methylcarbamothioate has a molecular weight of 182.73 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;O-ethyl N-methylcarbamothioate is sourced from PubChem (CID 88806110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).