Thiete sulfone

C3H4O2SCAS 7285-32-7104.12 g/mol

Open in Covalent MOL file
SOO
AlkeneSulfone

Properties

Molecular formula
C3H4O2S
Molar mass
104.12 g/mol
Exact mass
103.9932 Da
logP
-0.07Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
7285-32-7
SMILES
C1C=CS1(=O)=O
InChIKey
SYHFISYHXDUGDV-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O2S/c4-6(5)2-1-3-6/h1-2H,3H2
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C3H5O2S 105.0005
[M + Na]+
[M + Na]+ Calcd for C3H4NaO2S 126.9824
[M − H]−
[M − H]− Calcd for C3H3O2S 102.9859
Elemental analysis
Anal. Calcd for C3H4O2S: C, 34.61; H, 3.87; S, 30.79.

Weigh it out

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

Names and synonyms

7 names
  • 2H-Thiete 1,1-dioxide
  • 2H-Thiete-1,1-dioxide
  • 2H-Thiete, 1,1-dioxide
  • 2H-Thiete,1-dioxide
  • 2H-Thiete1,1-dioxide
  • 2H-Thiete 1,1-dioxid
  • Thiete 1,1-dioxide

Reactions

Work with Thiete sulfone

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

Similar compounds

Sulfolene77-79-237 % similar 1,1′-[Methylenebis(sulfonyl)]bis[ethene]3278-22-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook