4-ethyl-2,3-dihydrothiophene

C6H10S — CID 69333710

IUPAC4-ethyl-2,3-dihydrothiophene
SMILESCCC1=CSCC1
InChIInChI=1S/C6H10S/c1-2-6-3-4-7-5-6/h5H,2-4H2,1H3
InChIKeyQAWFVKVRRSQVQE-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.42
Rot. Bonds1

About 4-ethyl-2,3-dihydrothiophene

4-ethyl-2,3-dihydrothiophene (PubChem CID 69333710) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-ethyl-2,3-dihydrothiophene
PubChem CID69333710
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name4-ethyl-2,3-dihydrothiophene
SMILESCCC1=CSCC1
InChIInChI=1S/C6H10S/c1-2-6-3-4-7-5-6/h5H,2-4H2,1H3
InChIKeyQAWFVKVRRSQVQE-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Butene, 2-methyl-4-(methylthio)-
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2-Prop-1-en-2-ylthiirane
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3-Fluoro-2,4-dimethyl-2,3-dihydrothiophene
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3-ethyl-2-methyl-2H-thiete
CID 425347
Methylsulfanylmethylidenecyclopentane
CID 15438650
(2S)-2-prop-1-en-2-ylthiolane
CID 643413
2-Prop-1-en-2-ylthiolane
CID 21587553

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydrothiophene?
The IUPAC name of 4-ethyl-2,3-dihydrothiophene (CID 69333710) is 4-ethyl-2,3-dihydrothiophene.
What is the SMILES notation for 4-ethyl-2,3-dihydrothiophene?
The canonical SMILES for 4-ethyl-2,3-dihydrothiophene is CCC1=CSCC1.
What is the InChIKey of 4-ethyl-2,3-dihydrothiophene?
The InChIKey is QAWFVKVRRSQVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-2-6-3-4-7-5-6/h5H,2-4H2,1H3.
What are the key properties of 4-ethyl-2,3-dihydrothiophene?
4-ethyl-2,3-dihydrothiophene has a molecular weight of 114.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydrothiophene is sourced from PubChem (CID 69333710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).