5-phenylsulfanylfuran-2-carbaldehyde

C11H8O2S — CID 801489

IUPAC5-phenylsulfanylfuran-2-carbaldehyde
SMILESO=Cc1ccc(Sc2ccccc2)o1
InChIInChI=1S/C11H8O2S/c12-8-9-6-7-11(13-9)14-10-4-2-1-3-5-10/h1-8H
InChIKeyKQQAWPFBGKQMAF-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.24
Rot. Bonds3

About 5-phenylsulfanylfuran-2-carbaldehyde

5-phenylsulfanylfuran-2-carbaldehyde (PubChem CID 801489) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 5-phenylsulfanylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-phenylsulfanylfuran-2-carbaldehyde
PubChem CID801489
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name5-phenylsulfanylfuran-2-carbaldehyde
SMILESO=Cc1ccc(Sc2ccccc2)o1
InChIInChI=1S/C11H8O2S/c12-8-9-6-7-11(13-9)14-10-4-2-1-3-5-10/h1-8H
InChIKeyKQQAWPFBGKQMAF-UHFFFAOYSA-N
XLogP3.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanylfuran-2-carbaldehyde?
The IUPAC name of 5-phenylsulfanylfuran-2-carbaldehyde (CID 801489) is 5-phenylsulfanylfuran-2-carbaldehyde.
What is the SMILES notation for 5-phenylsulfanylfuran-2-carbaldehyde?
The canonical SMILES for 5-phenylsulfanylfuran-2-carbaldehyde is O=Cc1ccc(Sc2ccccc2)o1.
What is the InChIKey of 5-phenylsulfanylfuran-2-carbaldehyde?
The InChIKey is KQQAWPFBGKQMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-8-9-6-7-11(13-9)14-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-phenylsulfanylfuran-2-carbaldehyde?
5-phenylsulfanylfuran-2-carbaldehyde has a molecular weight of 204.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanylfuran-2-carbaldehyde is sourced from PubChem (CID 801489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).