5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde

C11H9NO2S — CID 175371800

IUPAC5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde
SMILESNc1ccccc1Sc1ccc(C=O)o1
InChIInChI=1S/C11H9NO2S/c12-9-3-1-2-4-10(9)15-11-6-5-8(7-13)14-11/h1-7H,12H2
InChIKeyCPWLSIVBCMRXQY-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.83
Rot. Bonds3

About 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde

5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde (PubChem CID 175371800) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde
PubChem CID175371800
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde
SMILESNc1ccccc1Sc1ccc(C=O)o1
InChIInChI=1S/C11H9NO2S/c12-9-3-1-2-4-10(9)15-11-6-5-8(7-13)14-11/h1-7H,12H2
InChIKeyCPWLSIVBCMRXQY-UHFFFAOYSA-N
XLogP2.83
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde?
The IUPAC name of 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde (CID 175371800) is 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde.
What is the SMILES notation for 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde?
The canonical SMILES for 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde is Nc1ccccc1Sc1ccc(C=O)o1.
What is the InChIKey of 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde?
The InChIKey is CPWLSIVBCMRXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c12-9-3-1-2-4-10(9)15-11-6-5-8(7-13)14-11/h1-7H,12H2.
What are the key properties of 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde?
5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde has a molecular weight of 219.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde is sourced from PubChem (CID 175371800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).