2-ethylsulfonylthiophene

C6H8O2S2 — CID 23380540

IUPAC2-ethylsulfonylthiophene
SMILESCCS(=O)(=O)c1cccs1
InChIInChI=1S/C6H8O2S2/c1-2-10(7,8)6-4-3-5-9-6/h3-5H,2H2,1H3
InChIKeySNGRIELHYKKWHF-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.54
Rot. Bonds2

About 2-ethylsulfonylthiophene

2-ethylsulfonylthiophene (PubChem CID 23380540) has the molecular formula C6H8O2S2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-ethylsulfonylthiophene.

Molecular Properties

Compound Name2-ethylsulfonylthiophene
PubChem CID23380540
Molecular FormulaC6H8O2S2
Molecular Weight176.26 g/mol
Exact Mass176.00
IUPAC Name2-ethylsulfonylthiophene
SMILESCCS(=O)(=O)c1cccs1
InChIInChI=1S/C6H8O2S2/c1-2-10(7,8)6-4-3-5-9-6/h3-5H,2H2,1H3
InChIKeySNGRIELHYKKWHF-UHFFFAOYSA-N
XLogP1.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylthiophene?
The IUPAC name of 2-ethylsulfonylthiophene (CID 23380540) is 2-ethylsulfonylthiophene.
What is the SMILES notation for 2-ethylsulfonylthiophene?
The canonical SMILES for 2-ethylsulfonylthiophene is CCS(=O)(=O)c1cccs1.
What is the InChIKey of 2-ethylsulfonylthiophene?
The InChIKey is SNGRIELHYKKWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S2/c1-2-10(7,8)6-4-3-5-9-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethylsulfonylthiophene?
2-ethylsulfonylthiophene has a molecular weight of 176.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylthiophene is sourced from PubChem (CID 23380540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).