2-(1-ethoxybutylsulfanylmethyl)furan

C11H18O2S — CID 141009482

IUPAC2-(1-ethoxybutylsulfanylmethyl)furan
SMILESCCCC(OCC)SCc1ccco1
InChIInChI=1S/C11H18O2S/c1-3-6-11(12-4-2)14-9-10-7-5-8-13-10/h5,7-8,11H,3-4,6,9H2,1-2H3
InChIKeySMCODWXSVALBIW-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.68
Rot. Bonds7

About 2-(1-ethoxybutylsulfanylmethyl)furan

2-(1-ethoxybutylsulfanylmethyl)furan (PubChem CID 141009482) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(1-ethoxybutylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(1-ethoxybutylsulfanylmethyl)furan
PubChem CID141009482
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-(1-ethoxybutylsulfanylmethyl)furan
SMILESCCCC(OCC)SCc1ccco1
InChIInChI=1S/C11H18O2S/c1-3-6-11(12-4-2)14-9-10-7-5-8-13-10/h5,7-8,11H,3-4,6,9H2,1-2H3
InChIKeySMCODWXSVALBIW-UHFFFAOYSA-N
XLogP3.68
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutylsulfanylmethyl)furan?
The IUPAC name of 2-(1-ethoxybutylsulfanylmethyl)furan (CID 141009482) is 2-(1-ethoxybutylsulfanylmethyl)furan.
What is the SMILES notation for 2-(1-ethoxybutylsulfanylmethyl)furan?
The canonical SMILES for 2-(1-ethoxybutylsulfanylmethyl)furan is CCCC(OCC)SCc1ccco1.
What is the InChIKey of 2-(1-ethoxybutylsulfanylmethyl)furan?
The InChIKey is SMCODWXSVALBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-3-6-11(12-4-2)14-9-10-7-5-8-13-10/h5,7-8,11H,3-4,6,9H2,1-2H3.
What are the key properties of 2-(1-ethoxybutylsulfanylmethyl)furan?
2-(1-ethoxybutylsulfanylmethyl)furan has a molecular weight of 214.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutylsulfanylmethyl)furan is sourced from PubChem (CID 141009482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).