3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde

C8H8O2S — CID 169454559

IUPAC3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde
SMILESO=Cc1occc1C=CCS
InChIInChI=1S/C8H8O2S/c9-6-8-7(2-1-5-11)3-4-10-8/h1-4,6,11H,5H2
InChIKeyODKPCJIARUJLGK-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.04
Rot. Bonds3

About 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde

3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde (PubChem CID 169454559) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde
PubChem CID169454559
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde
SMILESO=Cc1occc1C=CCS
InChIInChI=1S/C8H8O2S/c9-6-8-7(2-1-5-11)3-4-10-8/h1-4,6,11H,5H2
InChIKeyODKPCJIARUJLGK-UHFFFAOYSA-N
XLogP2.04
TPSA30.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde?
The IUPAC name of 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde (CID 169454559) is 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde is O=Cc1occc1C=CCS.
What is the InChIKey of 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde?
The InChIKey is ODKPCJIARUJLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c9-6-8-7(2-1-5-11)3-4-10-8/h1-4,6,11H,5H2.
What are the key properties of 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde?
3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde has a molecular weight of 168.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-sulfanylprop-1-enyl)furan-2-carbaldehyde is sourced from PubChem (CID 169454559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).