1-benzothiophen-2-yl(tributyl)stannane

C20H32SSn — CID 2735461

IUPAC1-benzothiophen-2-yl(tributyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2ccccc2s1
InChIInChI=1S/C8H5S.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyUJPVMOUQRNYNSA-UHFFFAOYSA-N
MW423.25 g/mol
LogP6.96
Rot. Bonds10

About 1-benzothiophen-2-yl(tributyl)stannane

1-benzothiophen-2-yl(tributyl)stannane (PubChem CID 2735461) has the molecular formula C20H32SSn and a molecular weight of 423.25 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(tributyl)stannane.

Molecular Properties

Compound Name1-benzothiophen-2-yl(tributyl)stannane
PubChem CID2735461
Molecular FormulaC20H32SSn
Molecular Weight423.25 g/mol
Exact Mass424.12
IUPAC Name1-benzothiophen-2-yl(tributyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2ccccc2s1
InChIInChI=1S/C8H5S.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyUJPVMOUQRNYNSA-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.25
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(tributyl)stannane?
The IUPAC name of 1-benzothiophen-2-yl(tributyl)stannane (CID 2735461) is 1-benzothiophen-2-yl(tributyl)stannane.
What is the SMILES notation for 1-benzothiophen-2-yl(tributyl)stannane?
The canonical SMILES for 1-benzothiophen-2-yl(tributyl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl(tributyl)stannane?
The InChIKey is UJPVMOUQRNYNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5S.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;.
What are the key properties of 1-benzothiophen-2-yl(tributyl)stannane?
1-benzothiophen-2-yl(tributyl)stannane has a molecular weight of 423.25 g/mol, XLogP of 6.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(tributyl)stannane is sourced from PubChem (CID 2735461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).