5-(4-sulfanylphenyl)furan-2-carbaldehyde

C11H8O2S — CID 169336212

IUPAC5-(4-sulfanylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(S)cc2)o1
InChIInChI=1S/C11H8O2S/c12-7-9-3-6-11(13-9)8-1-4-10(14)5-2-8/h1-7,14H
InChIKeyWKYXTZYEPJLBOW-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.05
Rot. Bonds2

About 5-(4-sulfanylphenyl)furan-2-carbaldehyde

5-(4-sulfanylphenyl)furan-2-carbaldehyde (PubChem CID 169336212) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 5-(4-sulfanylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-sulfanylphenyl)furan-2-carbaldehyde
PubChem CID169336212
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name5-(4-sulfanylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(S)cc2)o1
InChIInChI=1S/C11H8O2S/c12-7-9-3-6-11(13-9)8-1-4-10(14)5-2-8/h1-7,14H
InChIKeyWKYXTZYEPJLBOW-UHFFFAOYSA-N
XLogP3.05
TPSA30.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.05
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 5-(4-sulfanylphenyl)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

Related Compounds

5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde
CID 135187584

Frequently Asked Questions

What is the IUPAC name of 5-(4-sulfanylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-sulfanylphenyl)furan-2-carbaldehyde (CID 169336212) is 5-(4-sulfanylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-sulfanylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-sulfanylphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(S)cc2)o1.
What is the InChIKey of 5-(4-sulfanylphenyl)furan-2-carbaldehyde?
The InChIKey is WKYXTZYEPJLBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-7-9-3-6-11(13-9)8-1-4-10(14)5-2-8/h1-7,14H.
What are the key properties of 5-(4-sulfanylphenyl)furan-2-carbaldehyde?
5-(4-sulfanylphenyl)furan-2-carbaldehyde has a molecular weight of 204.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-sulfanylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169336212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).