copper;diethylcarbamothioic S-acid

C5H11CuNOS — CID 175552190

IUPACcopper;diethylcarbamothioic S-acid
SMILESCCN(CC)C(=O)S.[Cu]
InChIInChI=1S/C5H11NOS.Cu/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);
InChIKeyDBKCDWSVEASWGM-UHFFFAOYSA-N
MW196.76 g/mol
LogP1.38
Rot. Bonds2

About copper;diethylcarbamothioic S-acid

copper;diethylcarbamothioic S-acid (PubChem CID 175552190) has the molecular formula C5H11CuNOS and a molecular weight of 196.76 g/mol. Its IUPAC name is copper;diethylcarbamothioic S-acid.

Molecular Properties

Compound Namecopper;diethylcarbamothioic S-acid
PubChem CID175552190
Molecular FormulaC5H11CuNOS
Molecular Weight196.76 g/mol
Exact Mass195.99
IUPAC Namecopper;diethylcarbamothioic S-acid
SMILESCCN(CC)C(=O)S.[Cu]
InChIInChI=1S/C5H11NOS.Cu/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);
InChIKeyDBKCDWSVEASWGM-UHFFFAOYSA-N
XLogP1.38
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.76
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;diethylcarbamothioic S-acid?
The IUPAC name of copper;diethylcarbamothioic S-acid (CID 175552190) is copper;diethylcarbamothioic S-acid.
What is the SMILES notation for copper;diethylcarbamothioic S-acid?
The canonical SMILES for copper;diethylcarbamothioic S-acid is CCN(CC)C(=O)S.[Cu].
What is the InChIKey of copper;diethylcarbamothioic S-acid?
The InChIKey is DBKCDWSVEASWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.Cu/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);.
What are the key properties of copper;diethylcarbamothioic S-acid?
copper;diethylcarbamothioic S-acid has a molecular weight of 196.76 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;diethylcarbamothioic S-acid is sourced from PubChem (CID 175552190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).