Sodium Pentanesulfonate

• CAS: 22767-49-3
• Catalog Number: ACM22767493
• Category: Anionic Surfactants
• Molecular Weight: 174.19
• Molecular Formula: C5H11O3SNa
• Synonyms: 1-Pentanesulfonic acid sodium salt
• IUPAC Name: sodium;pentane-1-sulfonate
• Canonical SMILES: CCCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
• InChI Key: ROBLTDOHDSGGDT-UHFFFAOYSA-M
• Melting Point: 300ºC
• Density: 1.018 g/cm³
• Appearance: Powder
• Complexity: 147
• EC Number: 245-208-4
• Exact Mass: 174.03265966
• Formal Charge: 0
• Hazard Statements: Xi:Irritant
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCS(=O)(=O)[O-].[Na+]
• MDL Number: MFCD00007541
• Monoisotopic Mass: 174.03265966
• Rotatable Bond Count: 4
• Safety Description: S26-S28
• Stability: Stable under normal temperatures and pressures.
• Topological Polar Surface Area: 65.6 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Sodium Pentanesulfonate?

The molecular formula of Sodium Pentanesulfonate is C5H11NaO3S.

What is the molecular weight of Sodium Pentanesulfonate?

The molecular weight of Sodium Pentanesulfonate is 174.20 g/mol.

What are some synonyms for Sodium Pentanesulfonate?

Some synonyms for Sodium Pentanesulfonate include sodium 1-pentanesulfonate and sodium pentane-1-sulfonate.

When was Sodium Pentanesulfonate first created in the PubChem database?

Sodium Pentanesulfonate was first created in the PubChem database on February 5, 2008.

What is the IUPAC name for Sodium Pentanesulfonate?

The IUPAC name for Sodium Pentanesulfonate is sodium pentane-1-sulfonate.

What is the CAS number for Sodium Pentanesulfonate?

The CAS number for Sodium Pentanesulfonate is 22767-49-3.

How many hydrogen bond acceptor counts does Sodium Pentanesulfonate have?

Sodium Pentanesulfonate has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of Sodium Pentanesulfonate?

The topological polar surface area of Sodium Pentanesulfonate is 65.6 Ų.

How many covalently-bonded units does Sodium Pentanesulfonate have?

Sodium Pentanesulfonate has 2 covalently-bonded units.

Is Sodium Pentanesulfonate a canonicalized compound?

Yes, Sodium Pentanesulfonate is a canonicalized compound according to PubChem.