(5-bromothiophen-2-yl)-tributylstannane

C16H29BrSSn — CID 15738840

IUPAC(5-bromothiophen-2-yl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(Br)s1
InChIInChI=1S/C4H2BrS.3C4H9.Sn/c5-4-2-1-3-6-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKeyQZPYNNAAWHVCBW-UHFFFAOYSA-N
MW452.09 g/mol
LogP6.57
Rot. Bonds10

About (5-bromothiophen-2-yl)-tributylstannane

(5-bromothiophen-2-yl)-tributylstannane (PubChem CID 15738840) has the molecular formula C16H29BrSSn and a molecular weight of 452.09 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-tributylstannane.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-tributylstannane
PubChem CID15738840
Molecular FormulaC16H29BrSSn
Molecular Weight452.09 g/mol
Exact Mass452.02
IUPAC Name(5-bromothiophen-2-yl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(Br)s1
InChIInChI=1S/C4H2BrS.3C4H9.Sn/c5-4-2-1-3-6-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKeyQZPYNNAAWHVCBW-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.09
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-tributylstannane?
The IUPAC name of (5-bromothiophen-2-yl)-tributylstannane (CID 15738840) is (5-bromothiophen-2-yl)-tributylstannane.
What is the SMILES notation for (5-bromothiophen-2-yl)-tributylstannane?
The canonical SMILES for (5-bromothiophen-2-yl)-tributylstannane is CCCC[Sn](CCCC)(CCCC)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-tributylstannane?
The InChIKey is QZPYNNAAWHVCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrS.3C4H9.Sn/c5-4-2-1-3-6-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;.
What are the key properties of (5-bromothiophen-2-yl)-tributylstannane?
(5-bromothiophen-2-yl)-tributylstannane has a molecular weight of 452.09 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-tributylstannane is sourced from PubChem (CID 15738840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).