2-ethyl-3,5-dimethylthiophene

C8H12S — CID 528249

IUPAC2-ethyl-3,5-dimethylthiophene
SMILESCCc1sc(C)cc1C
InChIInChI=1S/C8H12S/c1-4-8-6(2)5-7(3)9-8/h5H,4H2,1-3H3
InChIKeyXXLBZDCPBSGOJR-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.93
Rot. Bonds1

About 2-ethyl-3,5-dimethylthiophene

2-ethyl-3,5-dimethylthiophene (PubChem CID 528249) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-ethyl-3,5-dimethylthiophene
PubChem CID528249
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-ethyl-3,5-dimethylthiophene
SMILESCCc1sc(C)cc1C
InChIInChI=1S/C8H12S/c1-4-8-6(2)5-7(3)9-8/h5H,4H2,1-3H3
InChIKeyXXLBZDCPBSGOJR-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethylthiophene?
The IUPAC name of 2-ethyl-3,5-dimethylthiophene (CID 528249) is 2-ethyl-3,5-dimethylthiophene.
What is the SMILES notation for 2-ethyl-3,5-dimethylthiophene?
The canonical SMILES for 2-ethyl-3,5-dimethylthiophene is CCc1sc(C)cc1C.
What is the InChIKey of 2-ethyl-3,5-dimethylthiophene?
The InChIKey is XXLBZDCPBSGOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-4-8-6(2)5-7(3)9-8/h5H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,5-dimethylthiophene?
2-ethyl-3,5-dimethylthiophene has a molecular weight of 140.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethylthiophene is sourced from PubChem (CID 528249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).