Sulfiram

C₁₀H₂₀N₂S₃ — CID 7215

About Sulfiram

Sulfiram (PubChem CID 7215) has the molecular formula C₁₀H₂₀N₂S₃ and a molecular weight of 264.48 g/mol. Its IUPAC name is diethylcarbamothioyl N,N-diethylcarbamodithioate.

Molecular Properties

• Compound Name: Sulfiram
• PubChem CID: 7215
• Molecular Formula: C₁₀H₂₀N₂S₃
• Molecular Weight: 264.48 g/mol
• Exact Mass: 264.08
• IUPAC Name: diethylcarbamothioyl N,N-diethylcarbamodithioate
• SMILES: CCN(CC)C(=S)SC(=S)N(CC)CC
• InChI: InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3
• InChIKey: CTPKSRZFJSJGML-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.48
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Sulfiram?

The IUPAC name of Sulfiram (CID 7215) is diethylcarbamothioyl N,N-diethylcarbamodithioate.

What is the SMILES notation for Sulfiram?

The canonical SMILES for Sulfiram is CCN(CC)C(=S)SC(=S)N(CC)CC.

What is the InChIKey of Sulfiram?

The InChIKey is CTPKSRZFJSJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3.

What are the key properties of Sulfiram?

Sulfiram has a molecular weight of 264.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sulfiram is sourced from PubChem (CID 7215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7215 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3569 — approved-drug record (CC BY-SA 4.0)

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