Ethane;2-(ethyldisulfanyl)-3-methylbutane

C₉H₂₂S₂ — CID 169266959

About Ethane;2-(ethyldisulfanyl)-3-methylbutane

Ethane;2-(ethyldisulfanyl)-3-methylbutane (PubChem CID 169266959) has the molecular formula C₉H₂₂S₂ and a molecular weight of 194.41 g/mol. Its IUPAC name is ethane;2-(ethyldisulfanyl)-3-methylbutane.

Molecular Properties

• Compound Name: Ethane;2-(ethyldisulfanyl)-3-methylbutane
• PubChem CID: 169266959
• Molecular Formula: C₉H₂₂S₂
• Molecular Weight: 194.41 g/mol
• Exact Mass: 194.12
• IUPAC Name: ethane;2-(ethyldisulfanyl)-3-methylbutane
• SMILES: CC.CCSSC(C)C(C)C
• InChI: InChI=1S/C7H16S2.C2H6/c1-5-8-9-7(4)6(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3
• InChIKey: FUVSHCJDNPHZQR-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.41
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;2-(ethyldisulfanyl)-3-methylbutane?

The IUPAC name of Ethane;2-(ethyldisulfanyl)-3-methylbutane (CID 169266959) is ethane;2-(ethyldisulfanyl)-3-methylbutane.

What is the SMILES notation for Ethane;2-(ethyldisulfanyl)-3-methylbutane?

The canonical SMILES for Ethane;2-(ethyldisulfanyl)-3-methylbutane is CC.CCSSC(C)C(C)C.

What is the InChIKey of Ethane;2-(ethyldisulfanyl)-3-methylbutane?

The InChIKey is FUVSHCJDNPHZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2.C2H6/c1-5-8-9-7(4)6(2)3;1-2/h6-7H,5H2,1-4H3;1-2H3.

What are the key properties of Ethane;2-(ethyldisulfanyl)-3-methylbutane?

Ethane;2-(ethyldisulfanyl)-3-methylbutane has a molecular weight of 194.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-(ethyldisulfanyl)-3-methylbutane is sourced from PubChem (CID 169266959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169266959 — identifiers, structure, computed properties (public domain)

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