3-chlorothiophene-2-carbaldehyde

C5H3ClOS — CID 2735825

IUPAC3-chlorothiophene-2-carbaldehyde
SMILESO=Cc1sccc1Cl
InChIInChI=1S/C5H3ClOS/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKeyPJOJWMNHMJFFCR-UHFFFAOYSA-N
MW146.60 g/mol
LogP2.21
Rot. Bonds1

About 3-chlorothiophene-2-carbaldehyde

3-chlorothiophene-2-carbaldehyde (PubChem CID 2735825) has the molecular formula C5H3ClOS and a molecular weight of 146.60 g/mol. Its IUPAC name is 3-chlorothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-chlorothiophene-2-carbaldehyde
PubChem CID2735825
Molecular FormulaC5H3ClOS
Molecular Weight146.60 g/mol
Exact Mass145.96
IUPAC Name3-chlorothiophene-2-carbaldehyde
SMILESO=Cc1sccc1Cl
InChIInChI=1S/C5H3ClOS/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKeyPJOJWMNHMJFFCR-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 3-chlorothiophene-2-carbaldehyde?
The IUPAC name of 3-chlorothiophene-2-carbaldehyde (CID 2735825) is 3-chlorothiophene-2-carbaldehyde.
What is the SMILES notation for 3-chlorothiophene-2-carbaldehyde?
The canonical SMILES for 3-chlorothiophene-2-carbaldehyde is O=Cc1sccc1Cl.
What is the InChIKey of 3-chlorothiophene-2-carbaldehyde?
The InChIKey is PJOJWMNHMJFFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClOS/c6-4-1-2-8-5(4)3-7/h1-3H.
What are the key properties of 3-chlorothiophene-2-carbaldehyde?
3-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 3-chlorothiophene-2-carbaldehyde is sourced from PubChem (CID 2735825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).