copper bis(N,N-dimethylcarbamodithioate)

C6H12CuN2S4 — CID 8721

IUPACcopper bis(N,N-dimethylcarbamodithioate)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2]
InChIInChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyZOUQIAGHKFLHIA-UHFFFAOYSA-L
MW303.99 g/mol
LogP0.76
Rot. Bonds

About copper bis(N,N-dimethylcarbamodithioate)

copper bis(N,N-dimethylcarbamodithioate) (PubChem CID 8721) has the molecular formula C6H12CuN2S4 and a molecular weight of 303.99 g/mol. Its IUPAC name is copper bis(N,N-dimethylcarbamodithioate).

Molecular Properties

Compound Namecopper bis(N,N-dimethylcarbamodithioate)
PubChem CID8721
Molecular FormulaC6H12CuN2S4
Molecular Weight303.99 g/mol
Exact Mass302.92
IUPAC Namecopper bis(N,N-dimethylcarbamodithioate)
SMILESCN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2]
InChIInChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyZOUQIAGHKFLHIA-UHFFFAOYSA-L
XLogP0.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper bis(N,N-dimethylcarbamodithioate)?
The IUPAC name of copper bis(N,N-dimethylcarbamodithioate) (CID 8721) is copper bis(N,N-dimethylcarbamodithioate).
What is the SMILES notation for copper bis(N,N-dimethylcarbamodithioate)?
The canonical SMILES for copper bis(N,N-dimethylcarbamodithioate) is CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2].
What is the InChIKey of copper bis(N,N-dimethylcarbamodithioate)?
The InChIKey is ZOUQIAGHKFLHIA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2.
What are the key properties of copper bis(N,N-dimethylcarbamodithioate)?
copper bis(N,N-dimethylcarbamodithioate) has a molecular weight of 303.99 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(N,N-dimethylcarbamodithioate) is sourced from PubChem (CID 8721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).