Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium

C₁₀H₂₄N₂NiS₂+2 — CID 50897468

About Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium

Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium (PubChem CID 50897468) has the molecular formula C₁₀H₂₄N₂NiS₂+2 and a molecular weight of 295.14 g/mol. Its IUPAC name is nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium.

Molecular Properties

• Compound Name: Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium
• PubChem CID: 50897468
• Molecular Formula: C₁₀H₂₄N₂NiS₂+2
• Molecular Weight: 295.14 g/mol
• Exact Mass: 294.07
• IUPAC Name: nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium
• SMILES: [Ni].[SH2+]CCN1CCCN(CC[SH2+])CCC1
• InChI: InChI=1S/C10H22N2S2.Ni/c13-9-7-11-3-1-4-12(8-10-14)6-2-5-11;/h13-14H,1-10H2;/p+2
• InChIKey: JWSDKUHRNXPKQG-UHFFFAOYSA-P
• XLogP: -0.60
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.14
LogP ≤ 5	-0.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium?

The IUPAC name of Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium (CID 50897468) is nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium.

What is the SMILES notation for Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium?

The canonical SMILES for Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium is [Ni].[SH2+]CCN1CCCN(CC[SH2+])CCC1.

What is the InChIKey of Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium?

The InChIKey is JWSDKUHRNXPKQG-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H22N2S2.Ni/c13-9-7-11-3-1-4-12(8-10-14)6-2-5-11;/h13-14H,1-10H2;/p+2.

What are the key properties of Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium?

Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium has a molecular weight of 295.14 g/mol, XLogP of -0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Nickel;2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethylsulfanium is sourced from PubChem (CID 50897468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50897468 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.