trimethylsilyl 2-phenylsulfanylacetate

C11H16O2SSi — CID 14352473

IUPACtrimethylsilyl 2-phenylsulfanylacetate
SMILESC[Si](C)(C)OC(=O)CSc1ccccc1
InChIInChI=1S/C11H16O2SSi/c1-15(2,3)13-11(12)9-14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyXVQPISUQLXNRHH-UHFFFAOYSA-N
MW240.40 g/mol
LogP3.16
Rot. Bonds4

About trimethylsilyl 2-phenylsulfanylacetate

trimethylsilyl 2-phenylsulfanylacetate (PubChem CID 14352473) has the molecular formula C11H16O2SSi and a molecular weight of 240.40 g/mol. Its IUPAC name is trimethylsilyl 2-phenylsulfanylacetate.

Molecular Properties

Compound Nametrimethylsilyl 2-phenylsulfanylacetate
PubChem CID14352473
Molecular FormulaC11H16O2SSi
Molecular Weight240.40 g/mol
Exact Mass240.06
IUPAC Nametrimethylsilyl 2-phenylsulfanylacetate
SMILESC[Si](C)(C)OC(=O)CSc1ccccc1
InChIInChI=1S/C11H16O2SSi/c1-15(2,3)13-11(12)9-14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyXVQPISUQLXNRHH-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-phenylsulfanylacetate?
The IUPAC name of trimethylsilyl 2-phenylsulfanylacetate (CID 14352473) is trimethylsilyl 2-phenylsulfanylacetate.
What is the SMILES notation for trimethylsilyl 2-phenylsulfanylacetate?
The canonical SMILES for trimethylsilyl 2-phenylsulfanylacetate is C[Si](C)(C)OC(=O)CSc1ccccc1.
What is the InChIKey of trimethylsilyl 2-phenylsulfanylacetate?
The InChIKey is XVQPISUQLXNRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2SSi/c1-15(2,3)13-11(12)9-14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of trimethylsilyl 2-phenylsulfanylacetate?
trimethylsilyl 2-phenylsulfanylacetate has a molecular weight of 240.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-phenylsulfanylacetate is sourced from PubChem (CID 14352473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).