1-Propanesulfonic acid

C₃H₈O₃SCAS 5284-66-2124.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₈O₃S
Molar mass: 124.15 g/mol
Exact mass: 124.0194 Da
Density: 1.2516 g/mL (at 25 °C)
Melting point: 7.5 °C
Boiling point: 136 °C
logP: 0.28Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

5284-66-2

SMILES

CCCS(=O)(=O)O

InChIKey

KCXFHTAICRTXLI-UHFFFAOYSA-N

InChI

InChI=1S/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)

Weigh it out

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

Names and synonyms

1 names

NSC 87882

Work with 1-Propanesulfonic 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.

Propylsulfonic acid sodium salt14533-63-2Salt

Similar compounds

Butanesulfonic acid2386-47-271 % similar 1-Octanesulfonic acid3944-72-765 % similar Ethanedisulfonic acid110-04-361 % similar 1,3-Propanedisulfonic acid21668-77-955 % similar 1,4-Butanedisulfonic acid27665-39-055 % similar Ethanesulfonic acid594-45-652 % similar Isethionic acid107-36-850 % similar Propanesulfonyl chloride10147-36-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Methylsulfonyl)ethanol15205-66-0 Methyl ethanesulfonate1912-28-3 Ethyl methanesulfonate62-50-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook