Cobalt;bis(piperidin-1-ide);diisothiocyanate

C₁₂H₂₀CoN₄S₂-4 — CID 54610742

About Cobalt;bis(piperidin-1-ide);diisothiocyanate

Cobalt;bis(piperidin-1-ide);diisothiocyanate (PubChem CID 54610742) has the molecular formula C₁₂H₂₀CoN₄S₂-4 and a molecular weight of 343.39 g/mol. Its IUPAC name is cobalt;bis(piperidin-1-ide);diisothiocyanate.

Molecular Properties

• Compound Name: Cobalt;bis(piperidin-1-ide);diisothiocyanate
• PubChem CID: 54610742
• Molecular Formula: C₁₂H₂₀CoN₄S₂-4
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.05
• IUPAC Name: cobalt;bis(piperidin-1-ide);diisothiocyanate
• SMILES: C1CC[N-]CC1.C1CC[N-]CC1.[Co].[N-]=C=S.[N-]=C=S
• InChI: InChI=1S/2C5H10N.2CNS.Co/c2*1-2-4-6-5-3-1;2*2-1-3;/h2*1-5H2;;;/q4*-1
• InChIKey: FDEIXKRUEZLOAO-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 72.80 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cobalt;bis(piperidin-1-ide);diisothiocyanate?

The IUPAC name of Cobalt;bis(piperidin-1-ide);diisothiocyanate (CID 54610742) is cobalt;bis(piperidin-1-ide);diisothiocyanate.

What is the SMILES notation for Cobalt;bis(piperidin-1-ide);diisothiocyanate?

The canonical SMILES for Cobalt;bis(piperidin-1-ide);diisothiocyanate is C1CC[N-]CC1.C1CC[N-]CC1.[Co].[N-]=C=S.[N-]=C=S.

What is the InChIKey of Cobalt;bis(piperidin-1-ide);diisothiocyanate?

The InChIKey is FDEIXKRUEZLOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10N.2CNS.Co/c2*1-2-4-6-5-3-1;2*2-1-3;/h2*1-5H2;;;/q4*-1;.

What are the key properties of Cobalt;bis(piperidin-1-ide);diisothiocyanate?

Cobalt;bis(piperidin-1-ide);diisothiocyanate has a molecular weight of 343.39 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Cobalt;bis(piperidin-1-ide);diisothiocyanate is sourced from PubChem (CID 54610742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54610742 — identifiers, structure, computed properties (public domain)

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