2-(1-trimethylsilylethylsulfanyl)acetic acid

C7H16O2SSi — CID 87443957

IUPAC2-(1-trimethylsilylethylsulfanyl)acetic acid
SMILESCC(SCC(=O)O)[Si](C)(C)C
InChIInChI=1S/C7H16O2SSi/c1-6(11(2,3)4)10-5-7(8)9/h6H,5H2,1-4H3,(H,8,9)
InChIKeyDBPKNGIUELUJOM-UHFFFAOYSA-N
MW192.36 g/mol
LogP2.07
Rot. Bonds4

About 2-(1-trimethylsilylethylsulfanyl)acetic acid

2-(1-trimethylsilylethylsulfanyl)acetic acid (PubChem CID 87443957) has the molecular formula C7H16O2SSi and a molecular weight of 192.36 g/mol. Its IUPAC name is 2-(1-trimethylsilylethylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(1-trimethylsilylethylsulfanyl)acetic acid
PubChem CID87443957
Molecular FormulaC7H16O2SSi
Molecular Weight192.36 g/mol
Exact Mass192.06
IUPAC Name2-(1-trimethylsilylethylsulfanyl)acetic acid
SMILESCC(SCC(=O)O)[Si](C)(C)C
InChIInChI=1S/C7H16O2SSi/c1-6(11(2,3)4)10-5-7(8)9/h6H,5H2,1-4H3,(H,8,9)
InChIKeyDBPKNGIUELUJOM-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-trimethylsilylethylsulfanyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-trimethylsilylethylsulfanyl)acetic acid?
The IUPAC name of 2-(1-trimethylsilylethylsulfanyl)acetic acid (CID 87443957) is 2-(1-trimethylsilylethylsulfanyl)acetic acid.
What is the SMILES notation for 2-(1-trimethylsilylethylsulfanyl)acetic acid?
The canonical SMILES for 2-(1-trimethylsilylethylsulfanyl)acetic acid is CC(SCC(=O)O)[Si](C)(C)C.
What is the InChIKey of 2-(1-trimethylsilylethylsulfanyl)acetic acid?
The InChIKey is DBPKNGIUELUJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2SSi/c1-6(11(2,3)4)10-5-7(8)9/h6H,5H2,1-4H3,(H,8,9).
What are the key properties of 2-(1-trimethylsilylethylsulfanyl)acetic acid?
2-(1-trimethylsilylethylsulfanyl)acetic acid has a molecular weight of 192.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-trimethylsilylethylsulfanyl)acetic acid is sourced from PubChem (CID 87443957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).