3-thiophen-2-ylbenzaldehyde

C11H8OS — CID 4281100

IUPAC3-thiophen-2-ylbenzaldehyde
SMILESO=Cc1cccc(-c2cccs2)c1
InChIInChI=1S/C11H8OS/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-8H
InChIKeyNTHCVKPOWDMRGY-UHFFFAOYSA-N
MW188.25 g/mol
LogP3.23
Rot. Bonds2

About 3-thiophen-2-ylbenzaldehyde

3-thiophen-2-ylbenzaldehyde (PubChem CID 4281100) has the molecular formula C11H8OS and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-thiophen-2-ylbenzaldehyde
PubChem CID4281100
Molecular FormulaC11H8OS
Molecular Weight188.25 g/mol
Exact Mass188.03
IUPAC Name3-thiophen-2-ylbenzaldehyde
SMILESO=Cc1cccc(-c2cccs2)c1
InChIInChI=1S/C11H8OS/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-8H
InChIKeyNTHCVKPOWDMRGY-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-thiophen-2-ylbenzaldehyde?
The IUPAC name of 3-thiophen-2-ylbenzaldehyde (CID 4281100) is 3-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 3-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 3-thiophen-2-ylbenzaldehyde is O=Cc1cccc(-c2cccs2)c1.
What is the InChIKey of 3-thiophen-2-ylbenzaldehyde?
The InChIKey is NTHCVKPOWDMRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-8H.
What are the key properties of 3-thiophen-2-ylbenzaldehyde?
3-thiophen-2-ylbenzaldehyde has a molecular weight of 188.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 4281100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).