3,4-diethyl-2,5-dihydrothiophene

C8H14S — CID 89276724

IUPAC3,4-diethyl-2,5-dihydrothiophene
SMILESCCC1=C(CC)CSC1
InChIInChI=1S/C8H14S/c1-3-7-5-9-6-8(7)4-2/h3-6H2,1-2H3
InChIKeyXAEXYWPPYMDLQU-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds2

About 3,4-diethyl-2,5-dihydrothiophene

3,4-diethyl-2,5-dihydrothiophene (PubChem CID 89276724) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3,4-diethyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name3,4-diethyl-2,5-dihydrothiophene
PubChem CID89276724
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3,4-diethyl-2,5-dihydrothiophene
SMILESCCC1=C(CC)CSC1
InChIInChI=1S/C8H14S/c1-3-7-5-9-6-8(7)4-2/h3-6H2,1-2H3
InChIKeyXAEXYWPPYMDLQU-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2,5-dihydrothiophene?
The IUPAC name of 3,4-diethyl-2,5-dihydrothiophene (CID 89276724) is 3,4-diethyl-2,5-dihydrothiophene.
What is the SMILES notation for 3,4-diethyl-2,5-dihydrothiophene?
The canonical SMILES for 3,4-diethyl-2,5-dihydrothiophene is CCC1=C(CC)CSC1.
What is the InChIKey of 3,4-diethyl-2,5-dihydrothiophene?
The InChIKey is XAEXYWPPYMDLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-7-5-9-6-8(7)4-2/h3-6H2,1-2H3.
What are the key properties of 3,4-diethyl-2,5-dihydrothiophene?
3,4-diethyl-2,5-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2,5-dihydrothiophene is sourced from PubChem (CID 89276724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).