5-ethyl-3H-furan-2-thione

C6H8OS — CID 91750114

IUPAC5-ethyl-3H-furan-2-thione
SMILESCCC1=CCC(=S)O1
InChIInChI=1S/C6H8OS/c1-2-5-3-4-6(8)7-5/h3H,2,4H2,1H3
InChIKeyODFPGUSFUZIAFM-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.03
Rot. Bonds1

About 5-ethyl-3H-furan-2-thione

5-ethyl-3H-furan-2-thione (PubChem CID 91750114) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 5-ethyl-3H-furan-2-thione.

Molecular Properties

Compound Name5-ethyl-3H-furan-2-thione
PubChem CID91750114
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name5-ethyl-3H-furan-2-thione
SMILESCCC1=CCC(=S)O1
InChIInChI=1S/C6H8OS/c1-2-5-3-4-6(8)7-5/h3H,2,4H2,1H3
InChIKeyODFPGUSFUZIAFM-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-4H-pyran-4-thione
CID 96456
Methylbutenyl thioacetate
CID 129775956
5-methyl-dihydrofuran-2(3H)-thione
CID 58977216
O-(cyclopenten-1-yl) ethanethioate
CID 90800707
5-butyl-dihydrofuran-2(3H)-thione
CID 15370713
5-methyl-2-methylidene-3H-furan
CID 85805628
5-Methyl-2-methyl vinylidenefuran
CID 86750108
2,5-dimethyl-3H-furan-2-thiol
CID 88246014
2,6-Diethylpyran-4-thione
CID 88674674
2,5-Dimethylfuran-3-thione
CID 85771343
5-Methylfuran-3-thione
CID 85935385
(2E)-2-ethylidene-5-methyl-3H-furan
CID 145077233

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3H-furan-2-thione?
The IUPAC name of 5-ethyl-3H-furan-2-thione (CID 91750114) is 5-ethyl-3H-furan-2-thione.
What is the SMILES notation for 5-ethyl-3H-furan-2-thione?
The canonical SMILES for 5-ethyl-3H-furan-2-thione is CCC1=CCC(=S)O1.
What is the InChIKey of 5-ethyl-3H-furan-2-thione?
The InChIKey is ODFPGUSFUZIAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-2-5-3-4-6(8)7-5/h3H,2,4H2,1H3.
What are the key properties of 5-ethyl-3H-furan-2-thione?
5-ethyl-3H-furan-2-thione has a molecular weight of 128.20 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3H-furan-2-thione is sourced from PubChem (CID 91750114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).