3,4-diethylthiophene

C8H12S — CID 520753

IUPAC3,4-diethylthiophene
SMILESCCc1cscc1CC
InChIInChI=1S/C8H12S/c1-3-7-5-9-6-8(7)4-2/h5-6H,3-4H2,1-2H3
InChIKeyKWMRVTDUWMBHRV-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.87
Rot. Bonds2

About 3,4-diethylthiophene

3,4-diethylthiophene (PubChem CID 520753) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 3,4-diethylthiophene.

Molecular Properties

Compound Name3,4-diethylthiophene
PubChem CID520753
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name3,4-diethylthiophene
SMILESCCc1cscc1CC
InChIInChI=1S/C8H12S/c1-3-7-5-9-6-8(7)4-2/h5-6H,3-4H2,1-2H3
InChIKeyKWMRVTDUWMBHRV-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylthiophene?
The IUPAC name of 3,4-diethylthiophene (CID 520753) is 3,4-diethylthiophene.
What is the SMILES notation for 3,4-diethylthiophene?
The canonical SMILES for 3,4-diethylthiophene is CCc1cscc1CC.
What is the InChIKey of 3,4-diethylthiophene?
The InChIKey is KWMRVTDUWMBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-3-7-5-9-6-8(7)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-diethylthiophene?
3,4-diethylthiophene has a molecular weight of 140.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylthiophene is sourced from PubChem (CID 520753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).