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

C7H12S — CID 89296742

IUPAC5-ethyl-4-methyl-2,3-dihydrothiophene
SMILESCCC1=C(C)CCS1
InChIInChI=1S/C7H12S/c1-3-7-6(2)4-5-8-7/h3-5H2,1-2H3
InChIKeyBFWGZCPIYNAPCC-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.81
Rot. Bonds1

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

5-ethyl-4-methyl-2,3-dihydrothiophene (PubChem CID 89296742) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-ethyl-4-methyl-2,3-dihydrothiophene
PubChem CID89296742
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name5-ethyl-4-methyl-2,3-dihydrothiophene
SMILESCCC1=C(C)CCS1
InChIInChI=1S/C7H12S/c1-3-7-6(2)4-5-8-7/h3-5H2,1-2H3
InChIKeyBFWGZCPIYNAPCC-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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2,3-dihydrothiophene?
The IUPAC name of 5-ethyl-4-methyl-2,3-dihydrothiophene (CID 89296742) is 5-ethyl-4-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 5-ethyl-4-methyl-2,3-dihydrothiophene?
The canonical SMILES for 5-ethyl-4-methyl-2,3-dihydrothiophene is CCC1=C(C)CCS1.
What is the InChIKey of 5-ethyl-4-methyl-2,3-dihydrothiophene?
The InChIKey is BFWGZCPIYNAPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-3-7-6(2)4-5-8-7/h3-5H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-2,3-dihydrothiophene?
5-ethyl-4-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 5-ethyl-4-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 89296742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).