5-chlorothiophene-2-carbaldehyde;ethane

C7H9ClOS — CID 142192708

IUPAC5-chlorothiophene-2-carbaldehyde;ethane
SMILESCC.O=Cc1ccc(Cl)s1
InChIInChI=1S/C5H3ClOS.C2H6/c6-5-2-1-4(3-7)8-5;1-2/h1-3H;1-2H3
InChIKeyVKNYHAYSKZQIML-UHFFFAOYSA-N
MW176.67 g/mol
LogP3.24
Rot. Bonds1

About 5-chlorothiophene-2-carbaldehyde;ethane

5-chlorothiophene-2-carbaldehyde;ethane (PubChem CID 142192708) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 5-chlorothiophene-2-carbaldehyde;ethane.

Molecular Properties

Compound Name5-chlorothiophene-2-carbaldehyde;ethane
PubChem CID142192708
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name5-chlorothiophene-2-carbaldehyde;ethane
SMILESCC.O=Cc1ccc(Cl)s1
InChIInChI=1S/C5H3ClOS.C2H6/c6-5-2-1-4(3-7)8-5;1-2/h1-3H;1-2H3
InChIKeyVKNYHAYSKZQIML-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 53.24
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 5-chlorothiophene-2-carbaldehyde;ethane?
The IUPAC name of 5-chlorothiophene-2-carbaldehyde;ethane (CID 142192708) is 5-chlorothiophene-2-carbaldehyde;ethane.
What is the SMILES notation for 5-chlorothiophene-2-carbaldehyde;ethane?
The canonical SMILES for 5-chlorothiophene-2-carbaldehyde;ethane is CC.O=Cc1ccc(Cl)s1.
What is the InChIKey of 5-chlorothiophene-2-carbaldehyde;ethane?
The InChIKey is VKNYHAYSKZQIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClOS.C2H6/c6-5-2-1-4(3-7)8-5;1-2/h1-3H;1-2H3.
What are the key properties of 5-chlorothiophene-2-carbaldehyde;ethane?
5-chlorothiophene-2-carbaldehyde;ethane has a molecular weight of 176.67 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothiophene-2-carbaldehyde;ethane is sourced from PubChem (CID 142192708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).