2-ethyl-5-ethylsulfonylthiophene

C8H12O2S2 — CID 91359617

IUPAC2-ethyl-5-ethylsulfonylthiophene
SMILESCCc1ccc(S(=O)(=O)CC)s1
InChIInChI=1S/C8H12O2S2/c1-3-7-5-6-8(11-7)12(9,10)4-2/h5-6H,3-4H2,1-2H3
InChIKeyMAGFLFCQOIJAMK-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.10
Rot. Bonds3

About 2-ethyl-5-ethylsulfonylthiophene

2-ethyl-5-ethylsulfonylthiophene (PubChem CID 91359617) has the molecular formula C8H12O2S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-ethyl-5-ethylsulfonylthiophene.

Molecular Properties

Compound Name2-ethyl-5-ethylsulfonylthiophene
PubChem CID91359617
Molecular FormulaC8H12O2S2
Molecular Weight204.32 g/mol
Exact Mass204.03
IUPAC Name2-ethyl-5-ethylsulfonylthiophene
SMILESCCc1ccc(S(=O)(=O)CC)s1
InChIInChI=1S/C8H12O2S2/c1-3-7-5-6-8(11-7)12(9,10)4-2/h5-6H,3-4H2,1-2H3
InChIKeyMAGFLFCQOIJAMK-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-ethylsulfonylthiophene 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 2-ethyl-5-ethylsulfonylthiophene?
The IUPAC name of 2-ethyl-5-ethylsulfonylthiophene (CID 91359617) is 2-ethyl-5-ethylsulfonylthiophene.
What is the SMILES notation for 2-ethyl-5-ethylsulfonylthiophene?
The canonical SMILES for 2-ethyl-5-ethylsulfonylthiophene is CCc1ccc(S(=O)(=O)CC)s1.
What is the InChIKey of 2-ethyl-5-ethylsulfonylthiophene?
The InChIKey is MAGFLFCQOIJAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S2/c1-3-7-5-6-8(11-7)12(9,10)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-ethylsulfonylthiophene?
2-ethyl-5-ethylsulfonylthiophene has a molecular weight of 204.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-ethylsulfonylthiophene is sourced from PubChem (CID 91359617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).