Ferbam

C9H18FeN3S6 — CID 26710

About Ferbam

Ferbam (PubChem CID 26710) has the molecular formula C9H18FeN3S6 and a molecular weight of 416.50 g/mol. Its IUPAC name is tris(N,N-dimethylcarbamodithioate);iron(3+).

Molecular Properties

• Compound Name: Ferbam
• PubChem CID: 26710
• Molecular Formula: C9H18FeN3S6
• Molecular Weight: 416.50 g/mol
• Exact Mass: 415.92
• IUPAC Name: tris(N,N-dimethylcarbamodithioate);iron(3+)
• SMILES: CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
• InChI: InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
• InChIKey: WHDGWKAJBYRJJL-UHFFFAOYSA-K
• XLogP: —
• TPSA: 109.00 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 19
• Complexity: 54

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ferbam?

The IUPAC name of Ferbam (CID 26710) is tris(N,N-dimethylcarbamodithioate);iron(3+).

What is the SMILES notation for Ferbam?

The canonical SMILES for Ferbam is CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3].

What is the InChIKey of Ferbam?

The InChIKey is WHDGWKAJBYRJJL-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3.

What are the key properties of Ferbam?

Ferbam has a molecular weight of 416.50 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ferbam is sourced from PubChem (CID 26710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).