4-chloro-5-cyclopropylthiophene-2-carbaldehyde

C8H7ClOS — CID 84660810

IUPAC4-chloro-5-cyclopropylthiophene-2-carbaldehyde
SMILESO=Cc1cc(Cl)c(C2CC2)s1
InChIInChI=1S/C8H7ClOS/c9-7-3-6(4-10)11-8(7)5-1-2-5/h3-5H,1-2H2
InChIKeyCVOVCUMMHHZPER-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.09
Rot. Bonds2

About 4-chloro-5-cyclopropylthiophene-2-carbaldehyde

4-chloro-5-cyclopropylthiophene-2-carbaldehyde (PubChem CID 84660810) has the molecular formula C8H7ClOS and a molecular weight of 186.66 g/mol. Its IUPAC name is 4-chloro-5-cyclopropylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-cyclopropylthiophene-2-carbaldehyde
PubChem CID84660810
Molecular FormulaC8H7ClOS
Molecular Weight186.66 g/mol
Exact Mass185.99
IUPAC Name4-chloro-5-cyclopropylthiophene-2-carbaldehyde
SMILESO=Cc1cc(Cl)c(C2CC2)s1
InChIInChI=1S/C8H7ClOS/c9-7-3-6(4-10)11-8(7)5-1-2-5/h3-5H,1-2H2
InChIKeyCVOVCUMMHHZPER-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 53.09
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-chloro-5-cyclopropylthiophene-2-carbaldehyde?
The IUPAC name of 4-chloro-5-cyclopropylthiophene-2-carbaldehyde (CID 84660810) is 4-chloro-5-cyclopropylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-chloro-5-cyclopropylthiophene-2-carbaldehyde?
The canonical SMILES for 4-chloro-5-cyclopropylthiophene-2-carbaldehyde is O=Cc1cc(Cl)c(C2CC2)s1.
What is the InChIKey of 4-chloro-5-cyclopropylthiophene-2-carbaldehyde?
The InChIKey is CVOVCUMMHHZPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClOS/c9-7-3-6(4-10)11-8(7)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 4-chloro-5-cyclopropylthiophene-2-carbaldehyde?
4-chloro-5-cyclopropylthiophene-2-carbaldehyde has a molecular weight of 186.66 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropylthiophene-2-carbaldehyde is sourced from PubChem (CID 84660810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).