2-ethyl-2,5-dihydrothiophene

C6H10S — CID 12596162

IUPAC2-ethyl-2,5-dihydrothiophene
SMILESCCC1C=CCS1
InChIInChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h3-4,6H,2,5H2,1H3
InChIKeyOFUIYIHUYQMFTK-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.07
Rot. Bonds1

About 2-ethyl-2,5-dihydrothiophene

2-ethyl-2,5-dihydrothiophene (PubChem CID 12596162) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2-ethyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name2-ethyl-2,5-dihydrothiophene
PubChem CID12596162
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2-ethyl-2,5-dihydrothiophene
SMILESCCC1C=CCS1
InChIInChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h3-4,6H,2,5H2,1H3
InChIKeyOFUIYIHUYQMFTK-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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Related Compounds

5-Methyl-2,3-dihydrothiophene
CID 559083
2,3-Dihydro-2-methylthiophene
CID 22054765
2,3-Dihydro-5-methyl-3-thiophenethiol
CID 20362516
3,6-Dihydro-2H-thiopyran
CID 567880
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
2,5-Dimethyl-2,5-dihydrothiophene
CID 293717
Cyclopentene, (methylthio)-
CID 5325880
2,5-Dihydro-2-methylthiophen
CID 13115594
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Propyl-2,5-dihydrothiophene
CID 15032355
4-(Methylsulfanyl)-2-pentene
CID 534914
3-Ethylsulfanylcyclohexene
CID 10975594

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dihydrothiophene?
The IUPAC name of 2-ethyl-2,5-dihydrothiophene (CID 12596162) is 2-ethyl-2,5-dihydrothiophene.
What is the SMILES notation for 2-ethyl-2,5-dihydrothiophene?
The canonical SMILES for 2-ethyl-2,5-dihydrothiophene is CCC1C=CCS1.
What is the InChIKey of 2-ethyl-2,5-dihydrothiophene?
The InChIKey is OFUIYIHUYQMFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-ethyl-2,5-dihydrothiophene?
2-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 2-ethyl-2,5-dihydrothiophene is sourced from PubChem (CID 12596162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).