copper;bis(piperidin-1-ylcarbamodithioic acid)

C12H24CuN4S4 — CID 174473209

IUPACcopper;bis(piperidin-1-ylcarbamodithioic acid)
SMILESS=C(S)NN1CCCCC1.S=C(S)NN1CCCCC1.[Cu]
InChIInChI=1S/2C6H12N2S2.Cu/c2*9-6(10)7-8-4-2-1-3-5-8;/h2*1-5H2,(H2,7,9,10);
InChIKeyBJJDORAIGITMKK-UHFFFAOYSA-N
MW416.17 g/mol
LogP2.38
Rot. Bonds2

About copper;bis(piperidin-1-ylcarbamodithioic acid)

copper;bis(piperidin-1-ylcarbamodithioic acid) (PubChem CID 174473209) has the molecular formula C12H24CuN4S4 and a molecular weight of 416.17 g/mol. Its IUPAC name is copper;bis(piperidin-1-ylcarbamodithioic acid).

Molecular Properties

Compound Namecopper;bis(piperidin-1-ylcarbamodithioic acid)
PubChem CID174473209
Molecular FormulaC12H24CuN4S4
Molecular Weight416.17 g/mol
Exact Mass415.02
IUPAC Namecopper;bis(piperidin-1-ylcarbamodithioic acid)
SMILESS=C(S)NN1CCCCC1.S=C(S)NN1CCCCC1.[Cu]
InChIInChI=1S/2C6H12N2S2.Cu/c2*9-6(10)7-8-4-2-1-3-5-8;/h2*1-5H2,(H2,7,9,10);
InChIKeyBJJDORAIGITMKK-UHFFFAOYSA-N
XLogP2.38
TPSA30.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(piperidin-1-ylcarbamodithioic acid)?
The IUPAC name of copper;bis(piperidin-1-ylcarbamodithioic acid) (CID 174473209) is copper;bis(piperidin-1-ylcarbamodithioic acid).
What is the SMILES notation for copper;bis(piperidin-1-ylcarbamodithioic acid)?
The canonical SMILES for copper;bis(piperidin-1-ylcarbamodithioic acid) is S=C(S)NN1CCCCC1.S=C(S)NN1CCCCC1.[Cu].
What is the InChIKey of copper;bis(piperidin-1-ylcarbamodithioic acid)?
The InChIKey is BJJDORAIGITMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12N2S2.Cu/c2*9-6(10)7-8-4-2-1-3-5-8;/h2*1-5H2,(H2,7,9,10);.
What are the key properties of copper;bis(piperidin-1-ylcarbamodithioic acid)?
copper;bis(piperidin-1-ylcarbamodithioic acid) has a molecular weight of 416.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(piperidin-1-ylcarbamodithioic acid) is sourced from PubChem (CID 174473209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).