tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane

C16H31NOSSn — CID 2763264

IUPACtributyl-(2-methoxy-1,3-thiazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(OC)n1
InChIInChI=1S/C4H4NOS.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;
InChIKeyJCZRGWAGRPABLT-UHFFFAOYSA-N
MW404.21 g/mol
LogP5.21
Rot. Bonds11

About tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane

tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane (PubChem CID 2763264) has the molecular formula C16H31NOSSn and a molecular weight of 404.21 g/mol. Its IUPAC name is tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-methoxy-1,3-thiazol-4-yl)stannane
PubChem CID2763264
Molecular FormulaC16H31NOSSn
Molecular Weight404.21 g/mol
Exact Mass405.11
IUPAC Nametributyl-(2-methoxy-1,3-thiazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(OC)n1
InChIInChI=1S/C4H4NOS.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;
InChIKeyJCZRGWAGRPABLT-UHFFFAOYSA-N
XLogP5.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.21
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane?
The IUPAC name of tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane (CID 2763264) is tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane.
What is the SMILES notation for tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane?
The canonical SMILES for tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1csc(OC)n1.
What is the InChIKey of tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane?
The InChIKey is JCZRGWAGRPABLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NOS.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane?
tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane has a molecular weight of 404.21 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-methoxy-1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 2763264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).