4-chlorothiophene-2-carbaldehyde

C5H3ClOS — CID 10997182

IUPAC4-chlorothiophene-2-carbaldehyde
SMILESO=Cc1cc(Cl)cs1
InChIInChI=1S/C5H3ClOS/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKeyYYEIZVYJDLYMIH-UHFFFAOYSA-N
MW146.60 g/mol
LogP2.21
Rot. Bonds1

About 4-chlorothiophene-2-carbaldehyde

4-chlorothiophene-2-carbaldehyde (PubChem CID 10997182) has the molecular formula C5H3ClOS and a molecular weight of 146.60 g/mol. Its IUPAC name is 4-chlorothiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-chlorothiophene-2-carbaldehyde
PubChem CID10997182
Molecular FormulaC5H3ClOS
Molecular Weight146.60 g/mol
Exact Mass145.96
IUPAC Name4-chlorothiophene-2-carbaldehyde
SMILESO=Cc1cc(Cl)cs1
InChIInChI=1S/C5H3ClOS/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKeyYYEIZVYJDLYMIH-UHFFFAOYSA-N
XLogP2.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.60
LogP ≤ 52.21
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 4-chlorothiophene-2-carbaldehyde?
The IUPAC name of 4-chlorothiophene-2-carbaldehyde (CID 10997182) is 4-chlorothiophene-2-carbaldehyde.
What is the SMILES notation for 4-chlorothiophene-2-carbaldehyde?
The canonical SMILES for 4-chlorothiophene-2-carbaldehyde is O=Cc1cc(Cl)cs1.
What is the InChIKey of 4-chlorothiophene-2-carbaldehyde?
The InChIKey is YYEIZVYJDLYMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClOS/c6-4-1-5(2-7)8-3-4/h1-3H.
What are the key properties of 4-chlorothiophene-2-carbaldehyde?
4-chlorothiophene-2-carbaldehyde has a molecular weight of 146.60 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothiophene-2-carbaldehyde is sourced from PubChem (CID 10997182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).