Sodium 1-butanesulfonate

Catalog	DGS2386541
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
EC Number	219-201-1
Exact Mass	160.01700960
Formal Charge	0
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
Rotatable Bond Count	3
Topological Polar Surface Area	65.6 Ų