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

C12H20CdN2S4 — CID 4196090

IUPACcadmium(2+);bis(piperidine-1-carbodithioate)
SMILESS=C([S-])N1CCCCC1.S=C([S-])N1CCCCC1.[Cd+2]
InChIInChI=1S/2C6H11NS2.Cd/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
InChIKeyCBRPDZBWFKLGJH-UHFFFAOYSA-L
MW432.99 g/mol
LogP2.61
Rot. Bonds

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

cadmium(2+);bis(piperidine-1-carbodithioate) (PubChem CID 4196090) has the molecular formula C12H20CdN2S4 and a molecular weight of 432.99 g/mol. Its IUPAC name is cadmium(2+);bis(piperidine-1-carbodithioate).

Molecular Properties

Compound Namecadmium(2+);bis(piperidine-1-carbodithioate)
PubChem CID4196090
Molecular FormulaC12H20CdN2S4
Molecular Weight432.99 g/mol
Exact Mass433.95
IUPAC Namecadmium(2+);bis(piperidine-1-carbodithioate)
SMILESS=C([S-])N1CCCCC1.S=C([S-])N1CCCCC1.[Cd+2]
InChIInChI=1S/2C6H11NS2.Cd/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
InChIKeyCBRPDZBWFKLGJH-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 ≤ 500432.99
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 cadmium(2+);bis(piperidine-1-carbodithioate)?
The IUPAC name of cadmium(2+);bis(piperidine-1-carbodithioate) (CID 4196090) is cadmium(2+);bis(piperidine-1-carbodithioate).
What is the SMILES notation for cadmium(2+);bis(piperidine-1-carbodithioate)?
The canonical SMILES for cadmium(2+);bis(piperidine-1-carbodithioate) is S=C([S-])N1CCCCC1.S=C([S-])N1CCCCC1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(piperidine-1-carbodithioate)?
The InChIKey is CBRPDZBWFKLGJH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H11NS2.Cd/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 cadmium(2+);bis(piperidine-1-carbodithioate)?
cadmium(2+);bis(piperidine-1-carbodithioate) has a molecular weight of 432.99 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 cadmium(2+);bis(piperidine-1-carbodithioate) is sourced from PubChem (CID 4196090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).