oxirane;tributyl(1,3-thiazol-4-yl)stannane

C17H33NOSSn — CID 87293321

IUPACoxirane;tributyl(1,3-thiazol-4-yl)stannane
SMILESC1CO1.CCCC[Sn](CCCC)(CCCC)c1cscn1
InChIInChI=1S/3C4H9.C3H2NS.C2H4O.Sn/c3*1-3-4-2;1-2-5-3-4-1;1-2-3-1;/h3*1,3-4H2,2H3;2-3H;1-2H2;
InChIKeyYBNLYAJDKWZOES-UHFFFAOYSA-N
MW418.24 g/mol
LogP5.22
Rot. Bonds10

About oxirane;tributyl(1,3-thiazol-4-yl)stannane

oxirane;tributyl(1,3-thiazol-4-yl)stannane (PubChem CID 87293321) has the molecular formula C17H33NOSSn and a molecular weight of 418.24 g/mol. Its IUPAC name is oxirane;tributyl(1,3-thiazol-4-yl)stannane.

Molecular Properties

Compound Nameoxirane;tributyl(1,3-thiazol-4-yl)stannane
PubChem CID87293321
Molecular FormulaC17H33NOSSn
Molecular Weight418.24 g/mol
Exact Mass419.13
IUPAC Nameoxirane;tributyl(1,3-thiazol-4-yl)stannane
SMILESC1CO1.CCCC[Sn](CCCC)(CCCC)c1cscn1
InChIInChI=1S/3C4H9.C3H2NS.C2H4O.Sn/c3*1-3-4-2;1-2-5-3-4-1;1-2-3-1;/h3*1,3-4H2,2H3;2-3H;1-2H2;
InChIKeyYBNLYAJDKWZOES-UHFFFAOYSA-N
XLogP5.22
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.24
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxirane;tributyl(1,3-thiazol-4-yl)stannane?
The IUPAC name of oxirane;tributyl(1,3-thiazol-4-yl)stannane (CID 87293321) is oxirane;tributyl(1,3-thiazol-4-yl)stannane.
What is the SMILES notation for oxirane;tributyl(1,3-thiazol-4-yl)stannane?
The canonical SMILES for oxirane;tributyl(1,3-thiazol-4-yl)stannane is C1CO1.CCCC[Sn](CCCC)(CCCC)c1cscn1.
What is the InChIKey of oxirane;tributyl(1,3-thiazol-4-yl)stannane?
The InChIKey is YBNLYAJDKWZOES-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H2NS.C2H4O.Sn/c3*1-3-4-2;1-2-5-3-4-1;1-2-3-1;/h3*1,3-4H2,2H3;2-3H;1-2H2;.
What are the key properties of oxirane;tributyl(1,3-thiazol-4-yl)stannane?
oxirane;tributyl(1,3-thiazol-4-yl)stannane has a molecular weight of 418.24 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;tributyl(1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 87293321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).