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

C16H29F2NSSn — CID 140735304

IUPACtributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(C(F)F)n1
InChIInChI=1S/C4H2F2NS.3C4H9.Sn/c5-3(6)4-7-1-2-8-4;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3;
InChIKeyJBCQVEBONFRATR-UHFFFAOYSA-N
MW424.19 g/mol
LogP6.14
Rot. Bonds11

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

tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane (PubChem CID 140735304) has the molecular formula C16H29F2NSSn and a molecular weight of 424.19 g/mol. Its IUPAC name is tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane
PubChem CID140735304
Molecular FormulaC16H29F2NSSn
Molecular Weight424.19 g/mol
Exact Mass425.10
IUPAC Nametributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(C(F)F)n1
InChIInChI=1S/C4H2F2NS.3C4H9.Sn/c5-3(6)4-7-1-2-8-4;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3;
InChIKeyJBCQVEBONFRATR-UHFFFAOYSA-N
XLogP6.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.19
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane?
The IUPAC name of tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane (CID 140735304) is tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane.
What is the SMILES notation for tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane?
The canonical SMILES for tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1csc(C(F)F)n1.
What is the InChIKey of tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane?
The InChIKey is JBCQVEBONFRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2NS.3C4H9.Sn/c5-3(6)4-7-1-2-8-4;3*1-3-4-2;/h2-3H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane?
tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane has a molecular weight of 424.19 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(difluoromethyl)-1,3-thiazol-4-yl]stannane is sourced from PubChem (CID 140735304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).