tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane

C16H31N3SSn — CID 172784072

IUPACtributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncnc(SC)n1
InChIInChI=1S/C4H4N3S.3C4H9.Sn/c1-8-4-6-2-5-3-7-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyOQJYNMKXNWOGBW-UHFFFAOYSA-N
MW416.22 g/mol
LogP4.65
Rot. Bonds11

About tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane

tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane (PubChem CID 172784072) has the molecular formula C16H31N3SSn and a molecular weight of 416.22 g/mol. Its IUPAC name is tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane
PubChem CID172784072
Molecular FormulaC16H31N3SSn
Molecular Weight416.22 g/mol
Exact Mass417.13
IUPAC Nametributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncnc(SC)n1
InChIInChI=1S/C4H4N3S.3C4H9.Sn/c1-8-4-6-2-5-3-7-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKeyOQJYNMKXNWOGBW-UHFFFAOYSA-N
XLogP4.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane?
The IUPAC name of tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane (CID 172784072) is tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane.
What is the SMILES notation for tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane?
The canonical SMILES for tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ncnc(SC)n1.
What is the InChIKey of tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane?
The InChIKey is OQJYNMKXNWOGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N3S.3C4H9.Sn/c1-8-4-6-2-5-3-7-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane?
tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane has a molecular weight of 416.22 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane is sourced from PubChem (CID 172784072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).