2-tributylstannylthiophene-3,4-dicarbonitrile

C18H28N2SSn — CID 66927436

IUPAC2-tributylstannylthiophene-3,4-dicarbonitrile
SMILESCCCC[Sn](CCCC)(CCCC)c1scc(C#N)c1C#N
InChIInChI=1S/C6HN2S.3C4H9.Sn/c7-1-5-3-9-4-6(5)2-8;3*1-3-4-2;/h3H;3*1,3-4H2,2H3;
InChIKeyIFLFVEMSUYNRGE-UHFFFAOYSA-N
MW423.21 g/mol
LogP5.55
Rot. Bonds10

About 2-tributylstannylthiophene-3,4-dicarbonitrile

2-tributylstannylthiophene-3,4-dicarbonitrile (PubChem CID 66927436) has the molecular formula C18H28N2SSn and a molecular weight of 423.21 g/mol. Its IUPAC name is 2-tributylstannylthiophene-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-tributylstannylthiophene-3,4-dicarbonitrile
PubChem CID66927436
Molecular FormulaC18H28N2SSn
Molecular Weight423.21 g/mol
Exact Mass424.10
IUPAC Name2-tributylstannylthiophene-3,4-dicarbonitrile
SMILESCCCC[Sn](CCCC)(CCCC)c1scc(C#N)c1C#N
InChIInChI=1S/C6HN2S.3C4H9.Sn/c7-1-5-3-9-4-6(5)2-8;3*1-3-4-2;/h3H;3*1,3-4H2,2H3;
InChIKeyIFLFVEMSUYNRGE-UHFFFAOYSA-N
XLogP5.55
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.21
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tributylstannylthiophene-3,4-dicarbonitrile?
The IUPAC name of 2-tributylstannylthiophene-3,4-dicarbonitrile (CID 66927436) is 2-tributylstannylthiophene-3,4-dicarbonitrile.
What is the SMILES notation for 2-tributylstannylthiophene-3,4-dicarbonitrile?
The canonical SMILES for 2-tributylstannylthiophene-3,4-dicarbonitrile is CCCC[Sn](CCCC)(CCCC)c1scc(C#N)c1C#N.
What is the InChIKey of 2-tributylstannylthiophene-3,4-dicarbonitrile?
The InChIKey is IFLFVEMSUYNRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HN2S.3C4H9.Sn/c7-1-5-3-9-4-6(5)2-8;3*1-3-4-2;/h3H;3*1,3-4H2,2H3;.
What are the key properties of 2-tributylstannylthiophene-3,4-dicarbonitrile?
2-tributylstannylthiophene-3,4-dicarbonitrile has a molecular weight of 423.21 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tributylstannylthiophene-3,4-dicarbonitrile is sourced from PubChem (CID 66927436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).