2-ethyl-3,4,5-trimethylthiophene

C9H14S — CID 18682381

IUPAC2-ethyl-3,4,5-trimethylthiophene
SMILESCCc1sc(C)c(C)c1C
InChIInChI=1S/C9H14S/c1-5-9-7(3)6(2)8(4)10-9/h5H2,1-4H3
InChIKeyHEUYDMCBEOKRAB-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.24
Rot. Bonds1

About 2-ethyl-3,4,5-trimethylthiophene

2-ethyl-3,4,5-trimethylthiophene (PubChem CID 18682381) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-ethyl-3,4,5-trimethylthiophene.

Molecular Properties

Compound Name2-ethyl-3,4,5-trimethylthiophene
PubChem CID18682381
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-ethyl-3,4,5-trimethylthiophene
SMILESCCc1sc(C)c(C)c1C
InChIInChI=1S/C9H14S/c1-5-9-7(3)6(2)8(4)10-9/h5H2,1-4H3
InChIKeyHEUYDMCBEOKRAB-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3,4,5-trimethylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5-trimethylthiophene?
The IUPAC name of 2-ethyl-3,4,5-trimethylthiophene (CID 18682381) is 2-ethyl-3,4,5-trimethylthiophene.
What is the SMILES notation for 2-ethyl-3,4,5-trimethylthiophene?
The canonical SMILES for 2-ethyl-3,4,5-trimethylthiophene is CCc1sc(C)c(C)c1C.
What is the InChIKey of 2-ethyl-3,4,5-trimethylthiophene?
The InChIKey is HEUYDMCBEOKRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-5-9-7(3)6(2)8(4)10-9/h5H2,1-4H3.
What are the key properties of 2-ethyl-3,4,5-trimethylthiophene?
2-ethyl-3,4,5-trimethylthiophene has a molecular weight of 154.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5-trimethylthiophene is sourced from PubChem (CID 18682381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).