Sodium 1-butanesulfonate

• CAS: 2386-54-1
• Catalog Number: ACM2386541
• Category: Anionic Surfactants
• Molecular Weight: 160.17
• Molecular Formula: C4H9NaO3S
• Synonyms: 1-Butanesulfonic acid sodium salt
• IUPAC Name: sodium;butane-1-sulfonate
• Canonical SMILES: CCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C4H10O3S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1
• InChI Key: XQCHMGAOAWZUPI-UHFFFAOYSA-M
• Melting Point: >300 °C (lit.)
• Density: 1.221g/cm³
• Appearance: White to off-white crystalline powder
• Complexity: 134
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• EC Number: 219-201-1
• Exact Mass: 160.01700960
• Formal Charge: 0
• Hazard Statements: Xi:Irritant
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCS(=O)(=O)[O-].[Na+]
• MDL Number: MFCD00007540
• Monoisotopic Mass: 160.01700960
• Physical State: Crystalline powder
• Rotatable Bond Count: 3
• Safety Description: S26-S37/39
• Topological Polar Surface Area: 65.6 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Sodium 1-Butanesulfonate?

The molecular formula is C4H9NaO3S.

What is the molecular weight of Sodium 1-Butanesulfonate?

The molecular weight is 160.17 g/mol.

What are some synonyms for Sodium 1-Butanesulfonate?

Some synonyms include sodium butane-1-sulfonate and 1-Butanesulfonic acid sodium salt.

When was Sodium 1-Butanesulfonate first created?

It was first created on September 13, 2005.

What is the IUPAC name of Sodium 1-Butanesulfonate?

The IUPAC name is sodium;butane-1-sulfonate.

What is the InChIKey of Sodium 1-Butanesulfonate?

The InChIKey is XQCHMGAOAWZUPI-UHFFFAOYSA-M.

What is the Canonical SMILES of Sodium 1-Butanesulfonate?

The Canonical SMILES is CCCCS(=O)(=O)[O-].[Na+].

What is the CAS number for Sodium 1-Butanesulfonate?

The CAS number is 2386-54-1.

How many hydrogen bond acceptor counts does Sodium 1-Butanesulfonate have?

It has three hydrogen bond acceptor counts.

Is Sodium 1-Butanesulfonate considered a canonicalized compound?

Yes, it is considered a canonicalized compound.