3-ethyl-2,5-dihydrothiophene

C6H10S — CID 23165569

IUPAC3-ethyl-2,5-dihydrothiophene
SMILESCCC1=CCSC1
InChIInChI=1S/C6H10S/c1-2-6-3-4-7-5-6/h3H,2,4-5H2,1H3
InChIKeyPJACCHPJRSMERO-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.07
Rot. Bonds1

About 3-ethyl-2,5-dihydrothiophene

3-ethyl-2,5-dihydrothiophene (PubChem CID 23165569) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 3-ethyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name3-ethyl-2,5-dihydrothiophene
PubChem CID23165569
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name3-ethyl-2,5-dihydrothiophene
SMILESCCC1=CCSC1
InChIInChI=1S/C6H10S/c1-2-6-3-4-7-5-6/h3H,2,4-5H2,1H3
InChIKeyPJACCHPJRSMERO-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dihydrothiophene?
The IUPAC name of 3-ethyl-2,5-dihydrothiophene (CID 23165569) is 3-ethyl-2,5-dihydrothiophene.
What is the SMILES notation for 3-ethyl-2,5-dihydrothiophene?
The canonical SMILES for 3-ethyl-2,5-dihydrothiophene is CCC1=CCSC1.
What is the InChIKey of 3-ethyl-2,5-dihydrothiophene?
The InChIKey is PJACCHPJRSMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-2-6-3-4-7-5-6/h3H,2,4-5H2,1H3.
What are the key properties of 3-ethyl-2,5-dihydrothiophene?
3-ethyl-2,5-dihydrothiophene has a molecular weight of 114.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dihydrothiophene is sourced from PubChem (CID 23165569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).