copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)

C12H24CuN4S4 — CID 50918431

IUPACcopper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)
SMILESCSC(=S)NN=CC(C)C.CSC(=S)NN=CC(C)C.[Cu]
InChIInChI=1S/2C6H12N2S2.Cu/c2*1-5(2)4-7-8-6(9)10-3;/h2*4-5H,1-3H3,(H,8,9);
InChIKeyCOJXIFQBYLMPOA-UHFFFAOYSA-N
MW416.17 g/mol
LogP3.73
Rot. Bonds4

About copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)

copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate) (PubChem CID 50918431) has the molecular formula C12H24CuN4S4 and a molecular weight of 416.17 g/mol. Its IUPAC name is copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate).

Molecular Properties

Compound Namecopper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)
PubChem CID50918431
Molecular FormulaC12H24CuN4S4
Molecular Weight416.17 g/mol
Exact Mass415.02
IUPAC Namecopper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)
SMILESCSC(=S)NN=CC(C)C.CSC(=S)NN=CC(C)C.[Cu]
InChIInChI=1S/2C6H12N2S2.Cu/c2*1-5(2)4-7-8-6(9)10-3;/h2*4-5H,1-3H3,(H,8,9);
InChIKeyCOJXIFQBYLMPOA-UHFFFAOYSA-N
XLogP3.73
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)?
The IUPAC name of copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate) (CID 50918431) is copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate).
What is the SMILES notation for copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)?
The canonical SMILES for copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate) is CSC(=S)NN=CC(C)C.CSC(=S)NN=CC(C)C.[Cu].
What is the InChIKey of copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)?
The InChIKey is COJXIFQBYLMPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12N2S2.Cu/c2*1-5(2)4-7-8-6(9)10-3;/h2*4-5H,1-3H3,(H,8,9);.
What are the key properties of copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate)?
copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate) has a molecular weight of 416.17 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(methyl N-(2-methylpropylideneamino)carbamodithioate) is sourced from PubChem (CID 50918431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).