2,5-diethyl-2,3-dihydrofuran-3-thiol

C8H14OS — CID 20567279

IUPAC2,5-diethyl-2,3-dihydrofuran-3-thiol
SMILESCCC1=CC(S)C(CC)O1
InChIInChI=1S/C8H14OS/c1-3-6-5-8(10)7(4-2)9-6/h5,7-8,10H,3-4H2,1-2H3
InChIKeyQKMXLOHCUUQWER-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.39
Rot. Bonds2

About 2,5-diethyl-2,3-dihydrofuran-3-thiol

2,5-diethyl-2,3-dihydrofuran-3-thiol (PubChem CID 20567279) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2,5-diethyl-2,3-dihydrofuran-3-thiol.

Molecular Properties

Compound Name2,5-diethyl-2,3-dihydrofuran-3-thiol
PubChem CID20567279
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2,5-diethyl-2,3-dihydrofuran-3-thiol
SMILESCCC1=CC(S)C(CC)O1
InChIInChI=1S/C8H14OS/c1-3-6-5-8(10)7(4-2)9-6/h5,7-8,10H,3-4H2,1-2H3
InChIKeyQKMXLOHCUUQWER-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-2,3-dihydrofuran-3-thiol?
The IUPAC name of 2,5-diethyl-2,3-dihydrofuran-3-thiol (CID 20567279) is 2,5-diethyl-2,3-dihydrofuran-3-thiol.
What is the SMILES notation for 2,5-diethyl-2,3-dihydrofuran-3-thiol?
The canonical SMILES for 2,5-diethyl-2,3-dihydrofuran-3-thiol is CCC1=CC(S)C(CC)O1.
What is the InChIKey of 2,5-diethyl-2,3-dihydrofuran-3-thiol?
The InChIKey is QKMXLOHCUUQWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-6-5-8(10)7(4-2)9-6/h5,7-8,10H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-2,3-dihydrofuran-3-thiol?
2,5-diethyl-2,3-dihydrofuran-3-thiol has a molecular weight of 158.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-2,3-dihydrofuran-3-thiol is sourced from PubChem (CID 20567279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).