3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde

C11H7FOS2 — CID 106533578

IUPAC3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde
SMILESO=Cc1cc(F)cc(Sc2cccs2)c1
InChIInChI=1S/C11H7FOS2/c12-9-4-8(7-13)5-10(6-9)15-11-2-1-3-14-11/h1-7H
InChIKeyCDGAAOJNUXVKSG-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.85
Rot. Bonds3

About 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde

3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde (PubChem CID 106533578) has the molecular formula C11H7FOS2 and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde
PubChem CID106533578
Molecular FormulaC11H7FOS2
Molecular Weight238.31 g/mol
Exact Mass237.99
IUPAC Name3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde
SMILESO=Cc1cc(F)cc(Sc2cccs2)c1
InChIInChI=1S/C11H7FOS2/c12-9-4-8(7-13)5-10(6-9)15-11-2-1-3-14-11/h1-7H
InChIKeyCDGAAOJNUXVKSG-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde?
The IUPAC name of 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde (CID 106533578) is 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde.
What is the SMILES notation for 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde?
The canonical SMILES for 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde is O=Cc1cc(F)cc(Sc2cccs2)c1.
What is the InChIKey of 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde?
The InChIKey is CDGAAOJNUXVKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FOS2/c12-9-4-8(7-13)5-10(6-9)15-11-2-1-3-14-11/h1-7H.
What are the key properties of 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde?
3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde has a molecular weight of 238.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde is sourced from PubChem (CID 106533578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).