S-triphenylplumbyl ethanethioate

C20H18OPbS — CID 16682799

IUPACS-triphenylplumbyl ethanethioate
SMILESCC(=O)S[Pb](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C2H4OS.Pb/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyYYAOWIZOIWOGHH-UHFFFAOYSA-M
MW513.63 g/mol
LogP2.93
Rot. Bonds4

About S-triphenylplumbyl ethanethioate

S-triphenylplumbyl ethanethioate (PubChem CID 16682799) has the molecular formula C20H18OPbS and a molecular weight of 513.63 g/mol. Its IUPAC name is S-triphenylplumbyl ethanethioate.

Molecular Properties

Compound NameS-triphenylplumbyl ethanethioate
PubChem CID16682799
Molecular FormulaC20H18OPbS
Molecular Weight513.63 g/mol
Exact Mass514.08
IUPAC NameS-triphenylplumbyl ethanethioate
SMILESCC(=O)S[Pb](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C2H4OS.Pb/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyYYAOWIZOIWOGHH-UHFFFAOYSA-M
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.63
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-triphenylplumbyl ethanethioate?
The IUPAC name of S-triphenylplumbyl ethanethioate (CID 16682799) is S-triphenylplumbyl ethanethioate.
What is the SMILES notation for S-triphenylplumbyl ethanethioate?
The canonical SMILES for S-triphenylplumbyl ethanethioate is CC(=O)S[Pb](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of S-triphenylplumbyl ethanethioate?
The InChIKey is YYAOWIZOIWOGHH-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.C2H4OS.Pb/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of S-triphenylplumbyl ethanethioate?
S-triphenylplumbyl ethanethioate has a molecular weight of 513.63 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-triphenylplumbyl ethanethioate is sourced from PubChem (CID 16682799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).