Butanesulfonic acid

C₄H₁₀O₃SCAS 2386-47-2138.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₃S
Molar mass: 138.18 g/mol
Exact mass: 138.0351 Da
Density: 1.227 g/mL (at 25 °C)
Melting point: −15.2 °C
Boiling point: 147 °C
logP: 0.67Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2386-47-2

SMILES

CCCCS(=O)(=O)O

InChIKey

QDHFHIQKOVNCNC-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

1 names

1-Butanesulfonic acid

Work with Butanesulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium 1-butanesulfonate2386-54-1Salt

Similar compounds

1-Octanesulfonic acid3944-72-782 % similar 1-Propanesulfonic acid5284-66-271 % similar 1,3-Propanedisulfonic acid21668-77-965 % similar 1,4-Butanedisulfonic acid27665-39-065 % similar Ethanedisulfonic acid110-04-355 % similar 1,1′-Sulfonylbis[butane]598-04-952 % similar Butanesulfonyl chloride2386-60-952 % similar Homotaurine3687-18-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Ethylsulfonyl)ethanol513-12-2 Diethyl sulfite623-81-4 Isopropyl methanesulfonate926-06-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook