tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane

C19H33N3SSn — CID 58926485

IUPACtributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccsc2)c1C
InChIInChI=1S/C7H6N3S.3C4H9.Sn/c1-6-4-8-9-10(6)7-2-3-11-5-7;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3;
InChIKeyFTUWJIRNBXSYEB-UHFFFAOYSA-N
MW454.27 g/mol
LogP5.69
Rot. Bonds11

About tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane

tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane (PubChem CID 58926485) has the molecular formula C19H33N3SSn and a molecular weight of 454.27 g/mol. Its IUPAC name is tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane
PubChem CID58926485
Molecular FormulaC19H33N3SSn
Molecular Weight454.27 g/mol
Exact Mass455.14
IUPAC Nametributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccsc2)c1C
InChIInChI=1S/C7H6N3S.3C4H9.Sn/c1-6-4-8-9-10(6)7-2-3-11-5-7;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3;
InChIKeyFTUWJIRNBXSYEB-UHFFFAOYSA-N
XLogP5.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.27
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane 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 tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane?
The IUPAC name of tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane (CID 58926485) is tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane.
What is the SMILES notation for tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane?
The canonical SMILES for tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccsc2)c1C.
What is the InChIKey of tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane?
The InChIKey is FTUWJIRNBXSYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N3S.3C4H9.Sn/c1-6-4-8-9-10(6)7-2-3-11-5-7;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane?
tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane has a molecular weight of 454.27 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(5-methyl-1-thiophen-3-yltriazol-4-yl)stannane is sourced from PubChem (CID 58926485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).