2,4-diethyl-2,5-dihydrothiophene

C8H14S — CID 91750811

IUPAC2,4-diethyl-2,5-dihydrothiophene
SMILESCCC1=CC(CC)SC1
InChIInChI=1S/C8H14S/c1-3-7-5-8(4-2)9-6-7/h5,8H,3-4,6H2,1-2H3
InChIKeyBZXQFAQLKRFMOG-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds2

About 2,4-diethyl-2,5-dihydrothiophene

2,4-diethyl-2,5-dihydrothiophene (PubChem CID 91750811) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2,4-diethyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name2,4-diethyl-2,5-dihydrothiophene
PubChem CID91750811
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2,4-diethyl-2,5-dihydrothiophene
SMILESCCC1=CC(CC)SC1
InChIInChI=1S/C8H14S/c1-3-7-5-8(4-2)9-6-7/h5,8H,3-4,6H2,1-2H3
InChIKeyBZXQFAQLKRFMOG-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2,3-dihydrothiophene
CID 559083
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Propyl-2,5-dihydrothiophene
CID 15032355
5-Butyl-2,3-dihydrothiophene
CID 11062496
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-Ethylsulfanylcyclopentene
CID 13244646
5-Tert-butyl-2,3-dihydrothiophene
CID 15191430

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2,5-dihydrothiophene?
The IUPAC name of 2,4-diethyl-2,5-dihydrothiophene (CID 91750811) is 2,4-diethyl-2,5-dihydrothiophene.
What is the SMILES notation for 2,4-diethyl-2,5-dihydrothiophene?
The canonical SMILES for 2,4-diethyl-2,5-dihydrothiophene is CCC1=CC(CC)SC1.
What is the InChIKey of 2,4-diethyl-2,5-dihydrothiophene?
The InChIKey is BZXQFAQLKRFMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-7-5-8(4-2)9-6-7/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 2,4-diethyl-2,5-dihydrothiophene?
2,4-diethyl-2,5-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2,5-dihydrothiophene is sourced from PubChem (CID 91750811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).