5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde

C9H6N2O2S — CID 1112170

IUPAC5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde
SMILESO=Cc1ccc(Sc2ncccn2)o1
InChIInChI=1S/C9H6N2O2S/c12-6-7-2-3-8(13-7)14-9-10-4-1-5-11-9/h1-6H
InChIKeyBVGQOPQJOBCDBN-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.03
Rot. Bonds3

About 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde

5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde (PubChem CID 1112170) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde
PubChem CID1112170
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde
SMILESO=Cc1ccc(Sc2ncccn2)o1
InChIInChI=1S/C9H6N2O2S/c12-6-7-2-3-8(13-7)14-9-10-4-1-5-11-9/h1-6H
InChIKeyBVGQOPQJOBCDBN-UHFFFAOYSA-N
XLogP2.03
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde?
The IUPAC name of 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde (CID 1112170) is 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde.
What is the SMILES notation for 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde?
The canonical SMILES for 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde is O=Cc1ccc(Sc2ncccn2)o1.
What is the InChIKey of 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde?
The InChIKey is BVGQOPQJOBCDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-6-7-2-3-8(13-7)14-9-10-4-1-5-11-9/h1-6H.
What are the key properties of 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde?
5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde has a molecular weight of 206.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde is sourced from PubChem (CID 1112170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).