3-ethylidenethiophene

C6H8S — CID 57227673

IUPAC3-ethylidenethiophene
SMILESCC=C1C=CSC1
InChIInChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h2-4H,5H2,1H3
InChIKeyKJDVWJARHHBPIB-UHFFFAOYSA-N
MW112.20 g/mol
LogP2.19
Rot. Bonds

About 3-ethylidenethiophene

3-ethylidenethiophene (PubChem CID 57227673) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol. Its IUPAC name is 3-ethylidenethiophene.

Molecular Properties

Compound Name3-ethylidenethiophene
PubChem CID57227673
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name3-ethylidenethiophene
SMILESCC=C1C=CSC1
InChIInChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h2-4H,5H2,1H3
InChIKeyKJDVWJARHHBPIB-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidenethiophene?
The IUPAC name of 3-ethylidenethiophene (CID 57227673) is 3-ethylidenethiophene.
What is the SMILES notation for 3-ethylidenethiophene?
The canonical SMILES for 3-ethylidenethiophene is CC=C1C=CSC1.
What is the InChIKey of 3-ethylidenethiophene?
The InChIKey is KJDVWJARHHBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h2-4H,5H2,1H3.
What are the key properties of 3-ethylidenethiophene?
3-ethylidenethiophene has a molecular weight of 112.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidenethiophene is sourced from PubChem (CID 57227673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).