2,5-diethylthiophene

C8H12S — CID 521294

IUPAC2,5-diethylthiophene
SMILESCCc1ccc(CC)s1
InChIInChI=1S/C8H12S/c1-3-7-5-6-8(4-2)9-7/h5-6H,3-4H2,1-2H3
InChIKeyJQTZGXZYJIJECP-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.87
Rot. Bonds2

About 2,5-diethylthiophene

2,5-diethylthiophene (PubChem CID 521294) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2,5-diethylthiophene.

Molecular Properties

Compound Name2,5-diethylthiophene
PubChem CID521294
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2,5-diethylthiophene
SMILESCCc1ccc(CC)s1
InChIInChI=1S/C8H12S/c1-3-7-5-6-8(4-2)9-7/h5-6H,3-4H2,1-2H3
InChIKeyJQTZGXZYJIJECP-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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Related Compounds

2-(5-ethylthiophen-2-yl)acetaldehyde
CID 63967769
2-ethyl-5-(methylsulfanylmethyl)thiophene
CID 54083779
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
2-dodecyl-5-ethylthiophene
CID 528251
2-ethyl-5-(propoxymethyl)thiophene
CID 54508933
1-[(5-ethylthiophen-2-yl)methyl]pyrrole
CID 63810482
2-ethyl-5-hex-3-ynylthiophene
CID 83929425
2-ethyl-5-methoxythiophene
CID 59502951
acetylene;ethane;2-ethyl-5-methylthiophene
CID 143080420
(5-ethylthiophen-2-yl)methylcyanamide
CID 106011012
S-(5-ethylthiophen-2-yl)thiohydroxylamine
CID 142237566
2,5-dipropylthiophene
CID 587485

Frequently Asked Questions

What is the IUPAC name of 2,5-diethylthiophene?
The IUPAC name of 2,5-diethylthiophene (CID 521294) is 2,5-diethylthiophene.
What is the SMILES notation for 2,5-diethylthiophene?
The canonical SMILES for 2,5-diethylthiophene is CCc1ccc(CC)s1.
What is the InChIKey of 2,5-diethylthiophene?
The InChIKey is JQTZGXZYJIJECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-3-7-5-6-8(4-2)9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-diethylthiophene?
2,5-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 2,5-diethylthiophene is sourced from PubChem (CID 521294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).