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

C6H10O2S — CID 2724015

IUPAC3-ethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCCC1=CCS(=O)(=O)C1
InChIInChI=1S/C6H10O2S/c1-2-6-3-4-9(7,8)5-6/h3H,2,4-5H2,1H3
InChIKeyLQENBVCXBPWHIX-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.75
Rot. Bonds1

About 3-ethyl-2,5-dihydrothiophene 1,1-dioxide

3-ethyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 2724015) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-ethyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID2724015
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name3-ethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCCC1=CCS(=O)(=O)C1
InChIInChI=1S/C6H10O2S/c1-2-6-3-4-9(7,8)5-6/h3H,2,4-5H2,1H3
InChIKeyLQENBVCXBPWHIX-UHFFFAOYSA-N
XLogP0.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Thiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide
CID 70941
Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide
CID 24839
4,5-Dihydrothiophene, 1,1-dioxide, 3-methyl-
CID 136676
Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
Thiophene, 2,5-dihydro-2-methyl-, 1,1-dioxide
CID 22330
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
(E,4S)-4-tert-butylsulfonylpent-2-ene
CID 138969022
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
3-tert-Butyl-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 13694643
3-Vinyl-2,5-dihydrothiophene 1,1-dioxide
CID 13809521

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-ethyl-2,5-dihydrothiophene 1,1-dioxide (CID 2724015) is 3-ethyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-ethyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-ethyl-2,5-dihydrothiophene 1,1-dioxide is CCC1=CCS(=O)(=O)C1.
What is the InChIKey of 3-ethyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is LQENBVCXBPWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-2-6-3-4-9(7,8)5-6/h3H,2,4-5H2,1H3.
What are the key properties of 3-ethyl-2,5-dihydrothiophene 1,1-dioxide?
3-ethyl-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 146.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 2724015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).