5-propylthiophene-2-carbaldehyde

C8H10OS — CID 3159601

IUPAC5-propylthiophene-2-carbaldehyde
SMILESCCCc1ccc(C=O)s1
InChIInChI=1S/C8H10OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
InChIKeyLWPDFFNCKYNEOT-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.51
Rot. Bonds3

About 5-propylthiophene-2-carbaldehyde

5-propylthiophene-2-carbaldehyde (PubChem CID 3159601) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 5-propylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-propylthiophene-2-carbaldehyde
PubChem CID3159601
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name5-propylthiophene-2-carbaldehyde
SMILESCCCc1ccc(C=O)s1
InChIInChI=1S/C8H10OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
InChIKeyLWPDFFNCKYNEOT-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.51
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-propylthiophene-2-carbaldehyde?
The IUPAC name of 5-propylthiophene-2-carbaldehyde (CID 3159601) is 5-propylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-propylthiophene-2-carbaldehyde?
The canonical SMILES for 5-propylthiophene-2-carbaldehyde is CCCc1ccc(C=O)s1.
What is the InChIKey of 5-propylthiophene-2-carbaldehyde?
The InChIKey is LWPDFFNCKYNEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3.
What are the key properties of 5-propylthiophene-2-carbaldehyde?
5-propylthiophene-2-carbaldehyde has a molecular weight of 154.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylthiophene-2-carbaldehyde is sourced from PubChem (CID 3159601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).