2-trimethylsilylsulfanylacetic acid

C5H12O2SSi — CID 19085789

IUPAC2-trimethylsilylsulfanylacetic acid
SMILESC[Si](C)(C)SCC(=O)O
InChIInChI=1S/C5H12O2SSi/c1-9(2,3)8-4-5(6)7/h4H2,1-3H3,(H,6,7)
InChIKeyREOCZKJDQYWXKO-UHFFFAOYSA-N
MW164.30 g/mol
LogP1.64
Rot. Bonds3

About 2-trimethylsilylsulfanylacetic acid

2-trimethylsilylsulfanylacetic acid (PubChem CID 19085789) has the molecular formula C5H12O2SSi and a molecular weight of 164.30 g/mol. Its IUPAC name is 2-trimethylsilylsulfanylacetic acid.

Molecular Properties

Compound Name2-trimethylsilylsulfanylacetic acid
PubChem CID19085789
Molecular FormulaC5H12O2SSi
Molecular Weight164.30 g/mol
Exact Mass164.03
IUPAC Name2-trimethylsilylsulfanylacetic acid
SMILESC[Si](C)(C)SCC(=O)O
InChIInChI=1S/C5H12O2SSi/c1-9(2,3)8-4-5(6)7/h4H2,1-3H3,(H,6,7)
InChIKeyREOCZKJDQYWXKO-UHFFFAOYSA-N
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-trimethylsilylsulfanylacetic acid?
The IUPAC name of 2-trimethylsilylsulfanylacetic acid (CID 19085789) is 2-trimethylsilylsulfanylacetic acid.
What is the SMILES notation for 2-trimethylsilylsulfanylacetic acid?
The canonical SMILES for 2-trimethylsilylsulfanylacetic acid is C[Si](C)(C)SCC(=O)O.
What is the InChIKey of 2-trimethylsilylsulfanylacetic acid?
The InChIKey is REOCZKJDQYWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2SSi/c1-9(2,3)8-4-5(6)7/h4H2,1-3H3,(H,6,7).
What are the key properties of 2-trimethylsilylsulfanylacetic acid?
2-trimethylsilylsulfanylacetic acid has a molecular weight of 164.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylsulfanylacetic acid is sourced from PubChem (CID 19085789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).