1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol

C8H14O2S — CID 102654669

IUPAC1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol
SMILESCCSCC(O)C1=CCCO1
InChIInChI=1S/C8H14O2S/c1-2-11-6-7(9)8-4-3-5-10-8/h4,7,9H,2-3,5-6H2,1H3
InChIKeyKJYPNGGXFOXBNZ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.40
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol

1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol (PubChem CID 102654669) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol
PubChem CID102654669
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol
SMILESCCSCC(O)C1=CCCO1
InChIInChI=1S/C8H14O2S/c1-2-11-6-7(9)8-4-3-5-10-8/h4,7,9H,2-3,5-6H2,1H3
InChIKeyKJYPNGGXFOXBNZ-UHFFFAOYSA-N
XLogP1.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol (CID 102654669) is 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol is CCSCC(O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol?
The InChIKey is KJYPNGGXFOXBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-2-11-6-7(9)8-4-3-5-10-8/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol?
1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol has a molecular weight of 174.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanol is sourced from PubChem (CID 102654669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).