Acesulfame

C4H5NO4SCAS 33665-90-6163.15 g/mol

Open in Covalent MOL file
ONHSOOO
Alkene

Properties

Molecular formula
C4H5NO4S
Molar mass
163.15 g/mol
Exact mass
162.9939 Da
Density
1.62 g/mL
Melting point
123–123.5 °C
pKa
2
Water solubility
270 g/L (20 °C)
logP
0.12Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
33665-90-6
SMILES
CC1=CC(O)=NS(=O)(=O)O1
InChIKey
YGCFIWIQZPHFLU-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)

Weigh it out

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

Names and synonyms

6 names
  • 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide
  • Acesulfam
  • 3,4-Dihydro-6-methyl-1,2,3-oxathiazin-4-one 2,2-dioxide
  • Acetosulfam
  • 6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide
  • Acesulfam H

Work with Acesulfame

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 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.

Acesulfame potassium55589-62-3Salt

Similar compounds

Monocrotophos6923-22-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook