4-ethyl-5-methyl-2,3-dihydrothiophene

C7H12S — CID 15709709

IUPAC4-ethyl-5-methyl-2,3-dihydrothiophene
SMILESCCC1=C(C)SCC1
InChIInChI=1S/C7H12S/c1-3-7-4-5-8-6(7)2/h3-5H2,1-2H3
InChIKeyFPWSVNFHKCETHK-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.81
Rot. Bonds1

About 4-ethyl-5-methyl-2,3-dihydrothiophene

4-ethyl-5-methyl-2,3-dihydrothiophene (PubChem CID 15709709) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-ethyl-5-methyl-2,3-dihydrothiophene
PubChem CID15709709
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name4-ethyl-5-methyl-2,3-dihydrothiophene
SMILESCCC1=C(C)SCC1
InChIInChI=1S/C7H12S/c1-3-7-4-5-8-6(7)2/h3-5H2,1-2H3
InChIKeyFPWSVNFHKCETHK-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-5-methyl-2,3-dihydrothiophene 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 4-ethyl-5-methyl-2,3-dihydrothiophene?
The IUPAC name of 4-ethyl-5-methyl-2,3-dihydrothiophene (CID 15709709) is 4-ethyl-5-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 4-ethyl-5-methyl-2,3-dihydrothiophene?
The canonical SMILES for 4-ethyl-5-methyl-2,3-dihydrothiophene is CCC1=C(C)SCC1.
What is the InChIKey of 4-ethyl-5-methyl-2,3-dihydrothiophene?
The InChIKey is FPWSVNFHKCETHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-3-7-4-5-8-6(7)2/h3-5H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2,3-dihydrothiophene?
4-ethyl-5-methyl-2,3-dihydrothiophene has a molecular weight of 128.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 15709709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).