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

C16H28F3NSSn — CID 53403789

IUPACtributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C4HF3NS.3C4H9.Sn/c5-4(6,7)3-1-9-2-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;
InChIKeyNGTMMEPBAPUXRE-UHFFFAOYSA-N
MW442.18 g/mol
LogP6.22
Rot. Bonds10

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

tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane (PubChem CID 53403789) has the molecular formula C16H28F3NSSn and a molecular weight of 442.18 g/mol. Its IUPAC name is tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane
PubChem CID53403789
Molecular FormulaC16H28F3NSSn
Molecular Weight442.18 g/mol
Exact Mass443.09
IUPAC Nametributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C4HF3NS.3C4H9.Sn/c5-4(6,7)3-1-9-2-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;
InChIKeyNGTMMEPBAPUXRE-UHFFFAOYSA-N
XLogP6.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.18
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane?
The IUPAC name of tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane (CID 53403789) is tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane.
What is the SMILES notation for tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane?
The canonical SMILES for tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1nc(C(F)(F)F)cs1.
What is the InChIKey of tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane?
The InChIKey is NGTMMEPBAPUXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF3NS.3C4H9.Sn/c5-4(6,7)3-1-9-2-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane?
tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane has a molecular weight of 442.18 g/mol, XLogP of 6.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane is sourced from PubChem (CID 53403789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).