4-ethylsulfanyl-5-methyl-2,3-dihydrofuran

C7H12OS — CID 123438719

IUPAC4-ethylsulfanyl-5-methyl-2,3-dihydrofuran
SMILESCCSC1=C(C)OCC1
InChIInChI=1S/C7H12OS/c1-3-9-7-4-5-8-6(7)2/h3-5H2,1-2H3
InChIKeyQOEOWDYBPOMFAS-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds2

About 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran

4-ethylsulfanyl-5-methyl-2,3-dihydrofuran (PubChem CID 123438719) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4-ethylsulfanyl-5-methyl-2,3-dihydrofuran
PubChem CID123438719
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name4-ethylsulfanyl-5-methyl-2,3-dihydrofuran
SMILESCCSC1=C(C)OCC1
InChIInChI=1S/C7H12OS/c1-3-9-7-4-5-8-6(7)2/h3-5H2,1-2H3
InChIKeyQOEOWDYBPOMFAS-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran?
The IUPAC name of 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran (CID 123438719) is 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran.
What is the SMILES notation for 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran?
The canonical SMILES for 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran is CCSC1=C(C)OCC1.
What is the InChIKey of 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran?
The InChIKey is QOEOWDYBPOMFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-9-7-4-5-8-6(7)2/h3-5H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran?
4-ethylsulfanyl-5-methyl-2,3-dihydrofuran has a molecular weight of 144.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5-methyl-2,3-dihydrofuran is sourced from PubChem (CID 123438719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).