tributyl-(5-tributylstannylthiophen-2-yl)stannane

C28H56SSn2 — CID 15210333

IUPACtributyl-(5-tributylstannylthiophen-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C4H2S.6C4H9.2Sn/c1-2-4-5-3-1;6*1-3-4-2;;/h1-2H;6*1,3-4H2,2H3;;
InChIKeyITAZQNRIMIQTDI-UHFFFAOYSA-N
MW662.25 g/mol
LogP9.86
Rot. Bonds20

About tributyl-(5-tributylstannylthiophen-2-yl)stannane

tributyl-(5-tributylstannylthiophen-2-yl)stannane (PubChem CID 15210333) has the molecular formula C28H56SSn2 and a molecular weight of 662.25 g/mol. Its IUPAC name is tributyl-(5-tributylstannylthiophen-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(5-tributylstannylthiophen-2-yl)stannane
PubChem CID15210333
Molecular FormulaC28H56SSn2
Molecular Weight662.25 g/mol
Exact Mass664.21
IUPAC Nametributyl-(5-tributylstannylthiophen-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C4H2S.6C4H9.2Sn/c1-2-4-5-3-1;6*1-3-4-2;;/h1-2H;6*1,3-4H2,2H3;;
InChIKeyITAZQNRIMIQTDI-UHFFFAOYSA-N
XLogP9.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.25
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(5-tributylstannylthiophen-2-yl)stannane?
The IUPAC name of tributyl-(5-tributylstannylthiophen-2-yl)stannane (CID 15210333) is tributyl-(5-tributylstannylthiophen-2-yl)stannane.
What is the SMILES notation for tributyl-(5-tributylstannylthiophen-2-yl)stannane?
The canonical SMILES for tributyl-(5-tributylstannylthiophen-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc([Sn](CCCC)(CCCC)CCCC)s1.
What is the InChIKey of tributyl-(5-tributylstannylthiophen-2-yl)stannane?
The InChIKey is ITAZQNRIMIQTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2S.6C4H9.2Sn/c1-2-4-5-3-1;6*1-3-4-2;;/h1-2H;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-(5-tributylstannylthiophen-2-yl)stannane?
tributyl-(5-tributylstannylthiophen-2-yl)stannane has a molecular weight of 662.25 g/mol, XLogP of 9.86, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(5-tributylstannylthiophen-2-yl)stannane is sourced from PubChem (CID 15210333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).