2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde

C10H8OS2 — CID 139035215

IUPAC2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde
SMILESCc1ccsc1-c1sccc1C=O
InChIInChI=1S/C10H8OS2/c1-7-2-4-12-9(7)10-8(6-11)3-5-13-10/h2-6H,1H3
InChIKeyKSATXNSFMCHTAQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.60
Rot. Bonds2

About 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde

2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde (PubChem CID 139035215) has the molecular formula C10H8OS2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde
PubChem CID139035215
Molecular FormulaC10H8OS2
Molecular Weight208.31 g/mol
Exact Mass208.00
IUPAC Name2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde
SMILESCc1ccsc1-c1sccc1C=O
InChIInChI=1S/C10H8OS2/c1-7-2-4-12-9(7)10-8(6-11)3-5-13-10/h2-6H,1H3
InChIKeyKSATXNSFMCHTAQ-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylthiophen-2-yl)thiophene-3-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 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde?
The IUPAC name of 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde (CID 139035215) is 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde is Cc1ccsc1-c1sccc1C=O.
What is the InChIKey of 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde?
The InChIKey is KSATXNSFMCHTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS2/c1-7-2-4-12-9(7)10-8(6-11)3-5-13-10/h2-6H,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde?
2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde has a molecular weight of 208.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde is sourced from PubChem (CID 139035215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).