tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane

C27H37NO2SSn — CID 69434687

IUPACtributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C15H10NO2S.3C4H9.Sn/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-15-16-10-11-19-15;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;
InChIKeyORNSHLGNEORTLK-UHFFFAOYSA-N
MW558.38 g/mol
LogP8.78
Rot. Bonds14

About tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane

tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane (PubChem CID 69434687) has the molecular formula C27H37NO2SSn and a molecular weight of 558.38 g/mol. Its IUPAC name is tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane
PubChem CID69434687
Molecular FormulaC27H37NO2SSn
Molecular Weight558.38 g/mol
Exact Mass559.16
IUPAC Nametributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C15H10NO2S.3C4H9.Sn/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-15-16-10-11-19-15;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;
InChIKeyORNSHLGNEORTLK-UHFFFAOYSA-N
XLogP8.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.38
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane?
The IUPAC name of tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane (CID 69434687) is tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane.
What is the SMILES notation for tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane?
The canonical SMILES for tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cnc(Oc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane?
The InChIKey is ORNSHLGNEORTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10NO2S.3C4H9.Sn/c1-2-4-12(5-3-1)17-13-6-8-14(9-7-13)18-15-16-10-11-19-15;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane?
tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane has a molecular weight of 558.38 g/mol, XLogP of 8.78, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane is sourced from PubChem (CID 69434687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).