2-(2-trimethylsilylethylsulfanyl)acetic acid

C7H16O2SSi — CID 14837368

IUPAC2-(2-trimethylsilylethylsulfanyl)acetic acid
SMILESC[Si](C)(C)CCSCC(=O)O
InChIInChI=1S/C7H16O2SSi/c1-11(2,3)5-4-10-6-7(8)9/h4-6H2,1-3H3,(H,8,9)
InChIKeyWDZDMCOHOFKYKV-UHFFFAOYSA-N
MW192.36 g/mol
LogP2.14
Rot. Bonds5

About 2-(2-trimethylsilylethylsulfanyl)acetic acid

2-(2-trimethylsilylethylsulfanyl)acetic acid (PubChem CID 14837368) has the molecular formula C7H16O2SSi and a molecular weight of 192.36 g/mol. Its IUPAC name is 2-(2-trimethylsilylethylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(2-trimethylsilylethylsulfanyl)acetic acid
PubChem CID14837368
Molecular FormulaC7H16O2SSi
Molecular Weight192.36 g/mol
Exact Mass192.06
IUPAC Name2-(2-trimethylsilylethylsulfanyl)acetic acid
SMILESC[Si](C)(C)CCSCC(=O)O
InChIInChI=1S/C7H16O2SSi/c1-11(2,3)5-4-10-6-7(8)9/h4-6H2,1-3H3,(H,8,9)
InChIKeyWDZDMCOHOFKYKV-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethylsilylethylsulfanyl)acetic acid?
The IUPAC name of 2-(2-trimethylsilylethylsulfanyl)acetic acid (CID 14837368) is 2-(2-trimethylsilylethylsulfanyl)acetic acid.
What is the SMILES notation for 2-(2-trimethylsilylethylsulfanyl)acetic acid?
The canonical SMILES for 2-(2-trimethylsilylethylsulfanyl)acetic acid is C[Si](C)(C)CCSCC(=O)O.
What is the InChIKey of 2-(2-trimethylsilylethylsulfanyl)acetic acid?
The InChIKey is WDZDMCOHOFKYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2SSi/c1-11(2,3)5-4-10-6-7(8)9/h4-6H2,1-3H3,(H,8,9).
What are the key properties of 2-(2-trimethylsilylethylsulfanyl)acetic acid?
2-(2-trimethylsilylethylsulfanyl)acetic acid has a molecular weight of 192.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethylsulfanyl)acetic acid is sourced from PubChem (CID 14837368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).