5-ethyl-2,3-dihydrothiophene

C6H10S — CID 12613684

IUPAC5-ethyl-2,3-dihydrothiophene
SMILESCCC1=CCCS1
InChIInChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h4H,2-3,5H2,1H3
InChIKeyVBOZZIMZLMYLBC-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.42
Rot. Bonds1

About 5-ethyl-2,3-dihydrothiophene

5-ethyl-2,3-dihydrothiophene (PubChem CID 12613684) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 5-ethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-ethyl-2,3-dihydrothiophene
PubChem CID12613684
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name5-ethyl-2,3-dihydrothiophene
SMILESCCC1=CCCS1
InChIInChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h4H,2-3,5H2,1H3
InChIKeyVBOZZIMZLMYLBC-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dihydrothiophene?
The IUPAC name of 5-ethyl-2,3-dihydrothiophene (CID 12613684) is 5-ethyl-2,3-dihydrothiophene.
What is the SMILES notation for 5-ethyl-2,3-dihydrothiophene?
The canonical SMILES for 5-ethyl-2,3-dihydrothiophene is CCC1=CCCS1.
What is the InChIKey of 5-ethyl-2,3-dihydrothiophene?
The InChIKey is VBOZZIMZLMYLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-2-6-4-3-5-7-6/h4H,2-3,5H2,1H3.
What are the key properties of 5-ethyl-2,3-dihydrothiophene?
5-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 5-ethyl-2,3-dihydrothiophene is sourced from PubChem (CID 12613684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).