2-tributylstannylthiophene-3-carbaldehyde

C17H30OSSn — CID 10873091

IUPAC2-tributylstannylthiophene-3-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1sccc1C=O
InChIInChI=1S/C5H3OS.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKeySSMHFKUIMCGNAC-UHFFFAOYSA-N
MW401.20 g/mol
LogP5.62
Rot. Bonds11

About 2-tributylstannylthiophene-3-carbaldehyde

2-tributylstannylthiophene-3-carbaldehyde (PubChem CID 10873091) has the molecular formula C17H30OSSn and a molecular weight of 401.20 g/mol. Its IUPAC name is 2-tributylstannylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-tributylstannylthiophene-3-carbaldehyde
PubChem CID10873091
Molecular FormulaC17H30OSSn
Molecular Weight401.20 g/mol
Exact Mass402.10
IUPAC Name2-tributylstannylthiophene-3-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1sccc1C=O
InChIInChI=1S/C5H3OS.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKeySSMHFKUIMCGNAC-UHFFFAOYSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.20
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-tributylstannylthiophene-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-tributylstannylthiophene-3-carbaldehyde?
The IUPAC name of 2-tributylstannylthiophene-3-carbaldehyde (CID 10873091) is 2-tributylstannylthiophene-3-carbaldehyde.
What is the SMILES notation for 2-tributylstannylthiophene-3-carbaldehyde?
The canonical SMILES for 2-tributylstannylthiophene-3-carbaldehyde is CCCC[Sn](CCCC)(CCCC)c1sccc1C=O.
What is the InChIKey of 2-tributylstannylthiophene-3-carbaldehyde?
The InChIKey is SSMHFKUIMCGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3OS.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;.
What are the key properties of 2-tributylstannylthiophene-3-carbaldehyde?
2-tributylstannylthiophene-3-carbaldehyde has a molecular weight of 401.20 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tributylstannylthiophene-3-carbaldehyde is sourced from PubChem (CID 10873091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).