tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane

C29H58SSn2 — CID 174722985

IUPACtributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)c([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C5H4S.6C4H9.2Sn/c1-5-2-3-6-4-5;6*1-3-4-2;;/h2H,1H3;6*1,3-4H2,2H3;;
InChIKeyRMZAHZUCGVYABE-UHFFFAOYSA-N
MW676.27 g/mol
LogP10.17
Rot. Bonds20

About tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane

tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane (PubChem CID 174722985) has the molecular formula C29H58SSn2 and a molecular weight of 676.27 g/mol. Its IUPAC name is tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane
PubChem CID174722985
Molecular FormulaC29H58SSn2
Molecular Weight676.27 g/mol
Exact Mass678.23
IUPAC Nametributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)c([Sn](CCCC)(CCCC)CCCC)s1
InChIInChI=1S/C5H4S.6C4H9.2Sn/c1-5-2-3-6-4-5;6*1-3-4-2;;/h2H,1H3;6*1,3-4H2,2H3;;
InChIKeyRMZAHZUCGVYABE-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.27
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane?
The IUPAC name of tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane (CID 174722985) is tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane.
What is the SMILES notation for tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane?
The canonical SMILES for tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc(C)c([Sn](CCCC)(CCCC)CCCC)s1.
What is the InChIKey of tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane?
The InChIKey is RMZAHZUCGVYABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4S.6C4H9.2Sn/c1-5-2-3-6-4-5;6*1-3-4-2;;/h2H,1H3;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane?
tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane has a molecular weight of 676.27 g/mol, XLogP of 10.17, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-methyl-5-tributylstannylthiophen-2-yl)stannane is sourced from PubChem (CID 174722985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).