CAS 2386-54-1 Sodium 1-butanesulfonate - Vaccine Lab / Alfa Chemistry

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.

Catalog Number	ACM2386541
CAS	2386-54-1
Structure
Synonyms	1-Butanesulfonic acid sodium salt
IUPAC Name	sodium;butane-1-sulfonate
Molecular Weight	160.17
Molecular Formula	C4H9NaO3S
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.)
Purity	99%
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
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
Topological Polar Surface Area	65.6 Å²
WGK Germany	3