2-ethyl-4-propan-2-ylthiophene

C9H14S — CID 6429950

IUPAC2-ethyl-4-propan-2-ylthiophene
SMILESCCc1cc(C(C)C)cs1
InChIInChI=1S/C9H14S/c1-4-9-5-8(6-10-9)7(2)3/h5-7H,4H2,1-3H3
InChIKeyWVJDRZFFSHZGAU-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.43
Rot. Bonds2

About 2-ethyl-4-propan-2-ylthiophene

2-ethyl-4-propan-2-ylthiophene (PubChem CID 6429950) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-ylthiophene.

Molecular Properties

Compound Name2-ethyl-4-propan-2-ylthiophene
PubChem CID6429950
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-ethyl-4-propan-2-ylthiophene
SMILESCCc1cc(C(C)C)cs1
InChIInChI=1S/C9H14S/c1-4-9-5-8(6-10-9)7(2)3/h5-7H,4H2,1-3H3
InChIKeyWVJDRZFFSHZGAU-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-4-propan-2-ylthiophene 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-4-propan-2-ylthiophene?
The IUPAC name of 2-ethyl-4-propan-2-ylthiophene (CID 6429950) is 2-ethyl-4-propan-2-ylthiophene.
What is the SMILES notation for 2-ethyl-4-propan-2-ylthiophene?
The canonical SMILES for 2-ethyl-4-propan-2-ylthiophene is CCc1cc(C(C)C)cs1.
What is the InChIKey of 2-ethyl-4-propan-2-ylthiophene?
The InChIKey is WVJDRZFFSHZGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-4-9-5-8(6-10-9)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-ylthiophene?
2-ethyl-4-propan-2-ylthiophene has a molecular weight of 154.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-ylthiophene is sourced from PubChem (CID 6429950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).