Sodium;hydride;trimethylsilyl propane-1-sulfonate

C₆H₁₇NaO₃SSi — CID 173422421

About Sodium;hydride;trimethylsilyl propane-1-sulfonate

Sodium;hydride;trimethylsilyl propane-1-sulfonate (PubChem CID 173422421) has the molecular formula C₆H₁₇NaO₃SSi and a molecular weight of 220.34 g/mol. Its IUPAC name is sodium;hydride;trimethylsilyl propane-1-sulfonate.

Molecular Properties

• Compound Name: Sodium;hydride;trimethylsilyl propane-1-sulfonate
• PubChem CID: 173422421
• Molecular Formula: C₆H₁₇NaO₃SSi
• Molecular Weight: 220.34 g/mol
• Exact Mass: 220.06
• IUPAC Name: sodium;hydride;trimethylsilyl propane-1-sulfonate
• SMILES: CCCS(=O)(=O)O[Si](C)(C)C.[H-].[Na+]
• InChI: InChI=1S/C6H16O3SSi.Na.H/c1-5-6-10(7,8)9-11(2,3)4;;/h5-6H2,1-4H3;;/q;+1;-1
• InChIKey: UDECKTKMWJNVHQ-UHFFFAOYSA-N
• XLogP: -1.31
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.34
LogP ≤ 5	-1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Sodium;hydride;trimethylsilyl propane-1-sulfonate?

The IUPAC name of Sodium;hydride;trimethylsilyl propane-1-sulfonate (CID 173422421) is sodium;hydride;trimethylsilyl propane-1-sulfonate.

What is the SMILES notation for Sodium;hydride;trimethylsilyl propane-1-sulfonate?

The canonical SMILES for Sodium;hydride;trimethylsilyl propane-1-sulfonate is CCCS(=O)(=O)O[Si](C)(C)C.[H-].[Na+].

What is the InChIKey of Sodium;hydride;trimethylsilyl propane-1-sulfonate?

The InChIKey is UDECKTKMWJNVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi.Na.H/c1-5-6-10(7,8)9-11(2,3)4;;/h5-6H2,1-4H3;;/q;+1;-1.

What are the key properties of Sodium;hydride;trimethylsilyl propane-1-sulfonate?

Sodium;hydride;trimethylsilyl propane-1-sulfonate has a molecular weight of 220.34 g/mol, XLogP of -1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;hydride;trimethylsilyl propane-1-sulfonate is sourced from PubChem (CID 173422421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173422421 — identifiers, structure, computed properties (public domain)

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