Sodium 1-decanesulfonate

• CAS: 13419-61-9
• Catalog Number: ACM13419619
• Category: Organic Phosphine Compounds
• Molecular Weight: 244.33
• Molecular Formula: C10H21NaO3S
• Synonyms: 1-Decanesulfonic acid sodium salt
• IUPAC Name: sodium;decane-1-sulfonate
• Canonical SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
• InChI Key: AIMUHNZKNFEZSN-UHFFFAOYSA-M
• Melting Point: >300 °C (lit.)
• Appearance: Powder
• Complexity: 209
• EC Number: 236-525-9
• Exact Mass: 244.11090998
• Formal Charge: 0
• Hazard Statements: Xi: Irritant
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCCCS(=O)(=O)[O-].[Na+]
• MDL Number: MFCD00007526
• Monoisotopic Mass: 244.11090998
• Rotatable Bond Count: 9
• Safety Description: S24/25
• Stability: Stable. Hygroscopic. Incompatible with strong oxidizing agents.
• Topological Polar Surface Area: 65.6 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Sodium 1-decanesulfonate?

The molecular formula of Sodium 1-decanesulfonate is C10H21NaO3S.

What are some synonyms for Sodium 1-decanesulfonate?

Some synonyms for Sodium 1-decanesulfonate include sodium decane-1-sulfonate, 1-Decanesulfonic acid sodium salt, and more.

When was Sodium 1-decanesulfonate created and last modified in PubChem?

Sodium 1-decanesulfonate was created on 2005-07-19 and last modified on 2023-12-02.

What is the molecular weight of Sodium 1-decanesulfonate?

The molecular weight of Sodium 1-decanesulfonate is 244.33 g/mol.

What is the IUPAC name of Sodium 1-decanesulfonate?

The IUPAC name of Sodium 1-decanesulfonate is sodium decane-1-sulfonate.

What are the InChI and InChIKey of Sodium 1-decanesulfonate?

The InChI of Sodium 1-decanesulfonate is InChI=1S/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1 and the InChIKey is AIMUHNZKNFEZSN-UHFFFAOYSA-M.

What is the Canonical SMILES of Sodium 1-decanesulfonate?

The Canonical SMILES of Sodium 1-decanesulfonate is CCCCCCCCCCS(=O)(=O)[O-].[Na+].

What are some other identifiers for Sodium 1-decanesulfonate?

Other identifiers for Sodium 1-decanesulfonate include CAS number 13419-61-9, European Community (EC) Number 236-525-9, and more.

What are some computed properties of Sodium 1-decanesulfonate?

Some computed properties of Sodium 1-decanesulfonate include Hydrogen Bond Acceptor Count of 3, Rotatable Bond Count of 9, Exact Mass of 244.11090998 g/mol, and more.

Is Sodium 1-decanesulfonate a canonicalized compound according to PubChem?

Yes, Sodium 1-decanesulfonate is a canonicalized compound in PubChem.