4-ethylsulfonyl-2,3-dihydrothiophene

C6H10O2S2 — CID 22092219

IUPAC4-ethylsulfonyl-2,3-dihydrothiophene
SMILESCCS(=O)(=O)C1=CSCC1
InChIInChI=1S/C6H10O2S2/c1-2-10(7,8)6-3-4-9-5-6/h5H,2-4H2,1H3
InChIKeyJKSOAYLUNYICFM-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.40
Rot. Bonds2

About 4-ethylsulfonyl-2,3-dihydrothiophene

4-ethylsulfonyl-2,3-dihydrothiophene (PubChem CID 22092219) has the molecular formula C6H10O2S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-ethylsulfonyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-ethylsulfonyl-2,3-dihydrothiophene
PubChem CID22092219
Molecular FormulaC6H10O2S2
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Name4-ethylsulfonyl-2,3-dihydrothiophene
SMILESCCS(=O)(=O)C1=CSCC1
InChIInChI=1S/C6H10O2S2/c1-2-10(7,8)6-3-4-9-5-6/h5H,2-4H2,1H3
InChIKeyJKSOAYLUNYICFM-UHFFFAOYSA-N
XLogP1.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethylsulfonyl-2,3-dihydrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2,3-dihydrothiophene?
The IUPAC name of 4-ethylsulfonyl-2,3-dihydrothiophene (CID 22092219) is 4-ethylsulfonyl-2,3-dihydrothiophene.
What is the SMILES notation for 4-ethylsulfonyl-2,3-dihydrothiophene?
The canonical SMILES for 4-ethylsulfonyl-2,3-dihydrothiophene is CCS(=O)(=O)C1=CSCC1.
What is the InChIKey of 4-ethylsulfonyl-2,3-dihydrothiophene?
The InChIKey is JKSOAYLUNYICFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2/c1-2-10(7,8)6-3-4-9-5-6/h5H,2-4H2,1H3.
What are the key properties of 4-ethylsulfonyl-2,3-dihydrothiophene?
4-ethylsulfonyl-2,3-dihydrothiophene has a molecular weight of 178.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2,3-dihydrothiophene is sourced from PubChem (CID 22092219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).