triphenylstannyl methanesulfonate

C19H18O3SSn — CID 16684369

IUPACtriphenylstannyl methanesulfonate
SMILESCS(=O)(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.CH4O3S.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4;/h3*1-5H;1H3,(H,2,3,4);/q;;;;+1/p-1
InChIKeyBLYMWGUXSHVEDI-UHFFFAOYSA-M
MW445.13 g/mol
LogP1.63
Rot. Bonds5

About triphenylstannyl methanesulfonate

triphenylstannyl methanesulfonate (PubChem CID 16684369) has the molecular formula C19H18O3SSn and a molecular weight of 445.13 g/mol. Its IUPAC name is triphenylstannyl methanesulfonate.

Molecular Properties

Compound Nametriphenylstannyl methanesulfonate
PubChem CID16684369
Molecular FormulaC19H18O3SSn
Molecular Weight445.13 g/mol
Exact Mass446.00
IUPAC Nametriphenylstannyl methanesulfonate
SMILESCS(=O)(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.CH4O3S.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4;/h3*1-5H;1H3,(H,2,3,4);/q;;;;+1/p-1
InChIKeyBLYMWGUXSHVEDI-UHFFFAOYSA-M
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.13
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl methanesulfonate?
The IUPAC name of triphenylstannyl methanesulfonate (CID 16684369) is triphenylstannyl methanesulfonate.
What is the SMILES notation for triphenylstannyl methanesulfonate?
The canonical SMILES for triphenylstannyl methanesulfonate is CS(=O)(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl methanesulfonate?
The InChIKey is BLYMWGUXSHVEDI-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.CH4O3S.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4;/h3*1-5H;1H3,(H,2,3,4);/q;;;;+1/p-1.
What are the key properties of triphenylstannyl methanesulfonate?
triphenylstannyl methanesulfonate has a molecular weight of 445.13 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl methanesulfonate is sourced from PubChem (CID 16684369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).