5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde

C12H10OS2 — CID 85145052

IUPAC5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde
SMILESCc1ccc(C=Cc2ccc(C=O)s2)s1
InChIInChI=1S/C12H10OS2/c1-9-2-3-10(14-9)4-5-11-6-7-12(8-13)15-11/h2-8H,1H3
InChIKeyRNZAMBPFIWGFQG-UHFFFAOYSA-N
MW234.35 g/mol
LogP4.10
Rot. Bonds3

About 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde

5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde (PubChem CID 85145052) has the molecular formula C12H10OS2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde
PubChem CID85145052
Molecular FormulaC12H10OS2
Molecular Weight234.35 g/mol
Exact Mass234.02
IUPAC Name5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde
SMILESCc1ccc(C=Cc2ccc(C=O)s2)s1
InChIInChI=1S/C12H10OS2/c1-9-2-3-10(14-9)4-5-11-6-7-12(8-13)15-11/h2-8H,1H3
InChIKeyRNZAMBPFIWGFQG-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde (CID 85145052) is 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde is Cc1ccc(C=Cc2ccc(C=O)s2)s1.
What is the InChIKey of 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde?
The InChIKey is RNZAMBPFIWGFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS2/c1-9-2-3-10(14-9)4-5-11-6-7-12(8-13)15-11/h2-8H,1H3.
What are the key properties of 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde?
5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde has a molecular weight of 234.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 85145052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).