2-ethylthiophene 1,1-dioxide

C6H8O2S — CID 15430673

IUPAC2-ethylthiophene 1,1-dioxide
SMILESCCC1=CC=CS1(=O)=O
InChIInChI=1S/C6H8O2S/c1-2-6-4-3-5-9(6,7)8/h3-5H,2H2,1H3
InChIKeyJVIWTQDFTQIMIZ-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.22
Rot. Bonds1

About 2-ethylthiophene 1,1-dioxide

2-ethylthiophene 1,1-dioxide (PubChem CID 15430673) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-ethylthiophene 1,1-dioxide.

Molecular Properties

Compound Name2-ethylthiophene 1,1-dioxide
PubChem CID15430673
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name2-ethylthiophene 1,1-dioxide
SMILESCCC1=CC=CS1(=O)=O
InChIInChI=1S/C6H8O2S/c1-2-6-4-3-5-9(6,7)8/h3-5H,2H2,1H3
InChIKeyJVIWTQDFTQIMIZ-UHFFFAOYSA-N
XLogP1.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthiophene 1,1-dioxide?
The IUPAC name of 2-ethylthiophene 1,1-dioxide (CID 15430673) is 2-ethylthiophene 1,1-dioxide.
What is the SMILES notation for 2-ethylthiophene 1,1-dioxide?
The canonical SMILES for 2-ethylthiophene 1,1-dioxide is CCC1=CC=CS1(=O)=O.
What is the InChIKey of 2-ethylthiophene 1,1-dioxide?
The InChIKey is JVIWTQDFTQIMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-2-6-4-3-5-9(6,7)8/h3-5H,2H2,1H3.
What are the key properties of 2-ethylthiophene 1,1-dioxide?
2-ethylthiophene 1,1-dioxide has a molecular weight of 144.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiophene 1,1-dioxide is sourced from PubChem (CID 15430673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).