(5-ethylsulfanylfuran-2-yl) acetate

C8H10O3S — CID 14087274

IUPAC(5-ethylsulfanylfuran-2-yl) acetate
SMILESCCSc1ccc(OC(C)=O)o1
InChIInChI=1S/C8H10O3S/c1-3-12-8-5-4-7(11-8)10-6(2)9/h4-5H,3H2,1-2H3
InChIKeyKMPKOBUMZYLOOS-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.32
Rot. Bonds3

About (5-ethylsulfanylfuran-2-yl) acetate

(5-ethylsulfanylfuran-2-yl) acetate (PubChem CID 14087274) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is (5-ethylsulfanylfuran-2-yl) acetate.

Molecular Properties

Compound Name(5-ethylsulfanylfuran-2-yl) acetate
PubChem CID14087274
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name(5-ethylsulfanylfuran-2-yl) acetate
SMILESCCSc1ccc(OC(C)=O)o1
InChIInChI=1S/C8H10O3S/c1-3-12-8-5-4-7(11-8)10-6(2)9/h4-5H,3H2,1-2H3
InChIKeyKMPKOBUMZYLOOS-UHFFFAOYSA-N
XLogP2.32
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanylfuran-2-yl) acetate?
The IUPAC name of (5-ethylsulfanylfuran-2-yl) acetate (CID 14087274) is (5-ethylsulfanylfuran-2-yl) acetate.
What is the SMILES notation for (5-ethylsulfanylfuran-2-yl) acetate?
The canonical SMILES for (5-ethylsulfanylfuran-2-yl) acetate is CCSc1ccc(OC(C)=O)o1.
What is the InChIKey of (5-ethylsulfanylfuran-2-yl) acetate?
The InChIKey is KMPKOBUMZYLOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-3-12-8-5-4-7(11-8)10-6(2)9/h4-5H,3H2,1-2H3.
What are the key properties of (5-ethylsulfanylfuran-2-yl) acetate?
(5-ethylsulfanylfuran-2-yl) acetate has a molecular weight of 186.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanylfuran-2-yl) acetate is sourced from PubChem (CID 14087274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).