5-methylsulfanylfuran-2-carbaldehyde

C6H6O2S — CID 10931539

IUPAC5-methylsulfanylfuran-2-carbaldehyde
SMILESCSc1ccc(C=O)o1
InChIInChI=1S/C6H6O2S/c1-9-6-3-2-5(4-7)8-6/h2-4H,1H3
InChIKeyKDICZNRVQKKLFT-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.81
Rot. Bonds2

About 5-methylsulfanylfuran-2-carbaldehyde

5-methylsulfanylfuran-2-carbaldehyde (PubChem CID 10931539) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-methylsulfanylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-methylsulfanylfuran-2-carbaldehyde
PubChem CID10931539
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name5-methylsulfanylfuran-2-carbaldehyde
SMILESCSc1ccc(C=O)o1
InChIInChI=1S/C6H6O2S/c1-9-6-3-2-5(4-7)8-6/h2-4H,1H3
InChIKeyKDICZNRVQKKLFT-UHFFFAOYSA-N
XLogP1.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methylsulfanylfuran-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 5-methylsulfanylfuran-2-carbaldehyde?
The IUPAC name of 5-methylsulfanylfuran-2-carbaldehyde (CID 10931539) is 5-methylsulfanylfuran-2-carbaldehyde.
What is the SMILES notation for 5-methylsulfanylfuran-2-carbaldehyde?
The canonical SMILES for 5-methylsulfanylfuran-2-carbaldehyde is CSc1ccc(C=O)o1.
What is the InChIKey of 5-methylsulfanylfuran-2-carbaldehyde?
The InChIKey is KDICZNRVQKKLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c1-9-6-3-2-5(4-7)8-6/h2-4H,1H3.
What are the key properties of 5-methylsulfanylfuran-2-carbaldehyde?
5-methylsulfanylfuran-2-carbaldehyde has a molecular weight of 142.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylfuran-2-carbaldehyde is sourced from PubChem (CID 10931539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).