nickel(2+);bis(piperidine-1-carbodithioate)

C12H20N2NiS4 — CID 6100354

IUPACnickel(2+);bis(piperidine-1-carbodithioate)
SMILESS=C([S-])N1CCCCC1.S=C([S-])N1CCCCC1.[Ni+2]
InChIInChI=1S/2C6H11NS2.Ni/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
InChIKeyXZKRPSZCSQGEGD-UHFFFAOYSA-L
MW379.27 g/mol
LogP2.61
Rot. Bonds

About nickel(2+);bis(piperidine-1-carbodithioate)

nickel(2+);bis(piperidine-1-carbodithioate) (PubChem CID 6100354) has the molecular formula C12H20N2NiS4 and a molecular weight of 379.27 g/mol. Its IUPAC name is nickel(2+);bis(piperidine-1-carbodithioate).

Molecular Properties

Compound Namenickel(2+);bis(piperidine-1-carbodithioate)
PubChem CID6100354
Molecular FormulaC12H20N2NiS4
Molecular Weight379.27 g/mol
Exact Mass377.99
IUPAC Namenickel(2+);bis(piperidine-1-carbodithioate)
SMILESS=C([S-])N1CCCCC1.S=C([S-])N1CCCCC1.[Ni+2]
InChIInChI=1S/2C6H11NS2.Ni/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
InChIKeyXZKRPSZCSQGEGD-UHFFFAOYSA-L
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 52.61
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 nickel(2+);bis(piperidine-1-carbodithioate)?
The IUPAC name of nickel(2+);bis(piperidine-1-carbodithioate) (CID 6100354) is nickel(2+);bis(piperidine-1-carbodithioate).
What is the SMILES notation for nickel(2+);bis(piperidine-1-carbodithioate)?
The canonical SMILES for nickel(2+);bis(piperidine-1-carbodithioate) is S=C([S-])N1CCCCC1.S=C([S-])N1CCCCC1.[Ni+2].
What is the InChIKey of nickel(2+);bis(piperidine-1-carbodithioate)?
The InChIKey is XZKRPSZCSQGEGD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H11NS2.Ni/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2.
What are the key properties of nickel(2+);bis(piperidine-1-carbodithioate)?
nickel(2+);bis(piperidine-1-carbodithioate) has a molecular weight of 379.27 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis(piperidine-1-carbodithioate) is sourced from PubChem (CID 6100354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).