Dixanthogen

C₆H₁₀O₂S₄ — CID 10404

About Dixanthogen

Dixanthogen (PubChem CID 10404) has the molecular formula C₆H₁₀O₂S₄ and a molecular weight of 242.41 g/mol. Its IUPAC name is O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate.

Molecular Properties

• Compound Name: Dixanthogen
• PubChem CID: 10404
• Molecular Formula: C₆H₁₀O₂S₄
• Molecular Weight: 242.41 g/mol
• Exact Mass: 241.96
• IUPAC Name: O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate
• SMILES: CCOC(=S)SSC(=S)OCC
• InChI: InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3
• InChIKey: FVIGODVHAVLZOO-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 18.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	242.41
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dixanthogen?

The IUPAC name of Dixanthogen (CID 10404) is O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate.

What is the SMILES notation for Dixanthogen?

The canonical SMILES for Dixanthogen is CCOC(=S)SSC(=S)OCC.

What is the InChIKey of Dixanthogen?

The InChIKey is FVIGODVHAVLZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3.

What are the key properties of Dixanthogen?

Dixanthogen has a molecular weight of 242.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Dixanthogen is sourced from PubChem (CID 10404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10404 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3163 — approved-drug record (CC BY-SA 4.0)

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