3,4-Dimethyl-2,5-dihydrothiophene 1,1-dioxide
Basic information
- CAS
18214-56-7- Standard SMILES
CC1=C(C)CS(=O)(=O)C1- InChIKey
DHOANNNWUWPODE-UHFFFAOYSA-N- Molecular formula
- C6H10O2S
- Average molar mass
- 146.21 g/mol
- Monoisotopic mass
- 146.04015073
Names & identifiers
- Preferred name
- 3,4-Dimethyl-2,5-dihydrothiophene 1,1-dioxide
- IUPAC
- 3,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
- English name
- Thiophene,2,5-dihydro-3,4-dimethyl-, 1,1-dioxide
- Molecular formula
- C6H10O2S
- Molecular weight
- 146.21
Names & synonyms
3,4-Dimethyl-2,5-dihydrothiophene 1,1-dioxide18214-56-73,4-dimethyl-3-sulfolene3,4-dimethyl-2,5-dihydrothiophene-1,1-dioneNSC227911SCHEMBL1352065DTXSID10310506SBB041262AKOS000269560NSC-227911ST501105283,4-Dimethyl-2,5-dihydro-thiophene 1,1-dioxide
Show more names
Thiophene,2,5-dihydro-3,4-dimethyl-, 1,1-dioxide
3,4-Dimethyl-2,5-dihydrothiophene 1,1-dioxide #3,4-dimethyl-2,5-dihydro-1|E?-thiophene-1,1-dioneThiophene, 2,5-dihydro-3,4-dimethyl-, 1,1-dioxideF1294-01023,4-Dimethyl-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione2,5-Dihydro-3,4-dimethylthiophene 1,1-dioxide; 3,4-Dimethyl-2,5-dihydrothiophene 1,1-dioxide; NSC 227911
Database identifiers
- CAS
18214-56-7- PubChem CID
- 313505
- DTXSID
DTXSID10310506
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 136.7 °C · 136.7 °C(Press: 15 Torr)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses3,4-Dimethyl-3-sulfolene acts as a synthetic reagent for the preparation of Terpenoids which are natural products.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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