tributyl-(2-methyl-1,3-thiazol-5-yl)stannane

C16H31NSSn — CID 46840005

IUPACtributyl-(2-methyl-1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C)s1
InChIInChI=1S/C4H4NS.3C4H9.Sn/c1-4-5-2-3-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyQBVDGHNBPOLJIZ-UHFFFAOYSA-N
MW388.21 g/mol
LogP5.51
Rot. Bonds10

About tributyl-(2-methyl-1,3-thiazol-5-yl)stannane

tributyl-(2-methyl-1,3-thiazol-5-yl)stannane (PubChem CID 46840005) has the molecular formula C16H31NSSn and a molecular weight of 388.21 g/mol. Its IUPAC name is tributyl-(2-methyl-1,3-thiazol-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-methyl-1,3-thiazol-5-yl)stannane
PubChem CID46840005
Molecular FormulaC16H31NSSn
Molecular Weight388.21 g/mol
Exact Mass389.12
IUPAC Nametributyl-(2-methyl-1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C)s1
InChIInChI=1S/C4H4NS.3C4H9.Sn/c1-4-5-2-3-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyQBVDGHNBPOLJIZ-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.21
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-methyl-1,3-thiazol-5-yl)stannane?
The IUPAC name of tributyl-(2-methyl-1,3-thiazol-5-yl)stannane (CID 46840005) is tributyl-(2-methyl-1,3-thiazol-5-yl)stannane.
What is the SMILES notation for tributyl-(2-methyl-1,3-thiazol-5-yl)stannane?
The canonical SMILES for tributyl-(2-methyl-1,3-thiazol-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cnc(C)s1.
What is the InChIKey of tributyl-(2-methyl-1,3-thiazol-5-yl)stannane?
The InChIKey is QBVDGHNBPOLJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NS.3C4H9.Sn/c1-4-5-2-3-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-methyl-1,3-thiazol-5-yl)stannane?
tributyl-(2-methyl-1,3-thiazol-5-yl)stannane has a molecular weight of 388.21 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-methyl-1,3-thiazol-5-yl)stannane is sourced from PubChem (CID 46840005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).