chempirical

3-Methyl-2,5-dihydrothiophene 1,1-dioxide

C5H8O2SCAS 1193-10-8132.18 g/mol

Open in Covalent MOL file
SOO
AlkeneSulfone

Properties

Molecular formula
C5H8O2S
Molar mass
132.18 g/mol
Exact mass
132.0245 Da
logP
0.36Crippen 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
1193-10-8
SMILES
CC1=CCS(=O)(=O)C1
InChIKey
FAYFWMOSHFCQPG-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • Thiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide
  • 3-Methylsulfolene
  • 3-Methyl-3-sulfolene
  • 3-Methyl-2,5-dihydrothiophene dioxide
  • 1,3-Butadiene, 2-methyl-, sulfone
  • 3-Methyl sulfolene
  • 2,5-Dihydro-3-methyl-thiophene 1,1-dioxide
  • I+/--Isoprensulfon
  • 3-Methyl-2,5-dihydrothiophen-1,1-dioxide
  • 3-Methyl-2,5-dihydrothiophene1,1-dioxide
  • 3-Methyl-2,1-dioxide
  • 1, 2-Methyl-, sulfone
  • 2,5-Dihydro-3-methiophene 1,1-dioxide
  • 3-Methyl-2,5-dihydrothiophene-1,1-dione
  • 3-Methyl-2,5-dihydro-thiophene 1,1-dioxide
  • Thiophene,5-dihydro-3-methyl-, 1,1-dioxide

Work with 3-Methyl-2,5-dihydrothiophene 1,1-dioxide

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

2,5-Dihydro-3-thiophenecarboxylic acid methyl ester 1,1-dioxide67488-50-042 % similar 1-Methylcyclopropene3100-04-733 % similar Sulfolene77-79-233 % similar 1-Methyl-1,4-cyclohexadiene4313-57-932 % similar

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

Elsewhere

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