trimethylsilyl 2-methylsulfanylacetate

C6H14O2SSi — CID 12549341

IUPACtrimethylsilyl 2-methylsulfanylacetate
SMILESCSCC(=O)O[Si](C)(C)C
InChIInChI=1S/C6H14O2SSi/c1-9-5-6(7)8-10(2,3)4/h5H2,1-4H3
InChIKeyHUBXGGSOIMWATF-UHFFFAOYSA-N
MW178.33 g/mol
LogP1.73
Rot. Bonds3

About trimethylsilyl 2-methylsulfanylacetate

trimethylsilyl 2-methylsulfanylacetate (PubChem CID 12549341) has the molecular formula C6H14O2SSi and a molecular weight of 178.33 g/mol. Its IUPAC name is trimethylsilyl 2-methylsulfanylacetate.

Molecular Properties

Compound Nametrimethylsilyl 2-methylsulfanylacetate
PubChem CID12549341
Molecular FormulaC6H14O2SSi
Molecular Weight178.33 g/mol
Exact Mass178.05
IUPAC Nametrimethylsilyl 2-methylsulfanylacetate
SMILESCSCC(=O)O[Si](C)(C)C
InChIInChI=1S/C6H14O2SSi/c1-9-5-6(7)8-10(2,3)4/h5H2,1-4H3
InChIKeyHUBXGGSOIMWATF-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.33
LogP ≤ 51.73
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-methylsulfanylacetate?
The IUPAC name of trimethylsilyl 2-methylsulfanylacetate (CID 12549341) is trimethylsilyl 2-methylsulfanylacetate.
What is the SMILES notation for trimethylsilyl 2-methylsulfanylacetate?
The canonical SMILES for trimethylsilyl 2-methylsulfanylacetate is CSCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methylsulfanylacetate?
The InChIKey is HUBXGGSOIMWATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2SSi/c1-9-5-6(7)8-10(2,3)4/h5H2,1-4H3.
What are the key properties of trimethylsilyl 2-methylsulfanylacetate?
trimethylsilyl 2-methylsulfanylacetate has a molecular weight of 178.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methylsulfanylacetate is sourced from PubChem (CID 12549341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).