tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane

C15H30N2SSn — CID 59693891

IUPACtributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(C)ns1
InChIInChI=1S/3C4H9.C3H3N2S.Sn/c3*1-3-4-2;1-3-4-2-6-5-3;/h3*1,3-4H2,2H3;1H3;
InChIKeyHBOBCVOCFXSYAJ-UHFFFAOYSA-N
MW389.20 g/mol
LogP4.90
Rot. Bonds10

About tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane

tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane (PubChem CID 59693891) has the molecular formula C15H30N2SSn and a molecular weight of 389.20 g/mol. Its IUPAC name is tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane
PubChem CID59693891
Molecular FormulaC15H30N2SSn
Molecular Weight389.20 g/mol
Exact Mass390.12
IUPAC Nametributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(C)ns1
InChIInChI=1S/3C4H9.C3H3N2S.Sn/c3*1-3-4-2;1-3-4-2-6-5-3;/h3*1,3-4H2,2H3;1H3;
InChIKeyHBOBCVOCFXSYAJ-UHFFFAOYSA-N
XLogP4.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane?
The IUPAC name of tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane (CID 59693891) is tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane.
What is the SMILES notation for tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane?
The canonical SMILES for tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nc(C)ns1.
What is the InChIKey of tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane?
The InChIKey is HBOBCVOCFXSYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H3N2S.Sn/c3*1-3-4-2;1-3-4-2-6-5-3;/h3*1,3-4H2,2H3;1H3;.
What are the key properties of tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane?
tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane has a molecular weight of 389.20 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-methyl-1,2,4-thiadiazol-5-yl)stannane is sourced from PubChem (CID 59693891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).