2-(trimethylsilylmethylsulfanyl)acetic acid

C6H14O2SSi — CID 57226652

IUPAC2-(trimethylsilylmethylsulfanyl)acetic acid
SMILESC[Si](C)(C)CSCC(=O)O
InChIInChI=1S/C6H14O2SSi/c1-10(2,3)5-9-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
InChIKeyIEPHFLVHJJBTJK-UHFFFAOYSA-N
MW178.33 g/mol
LogP1.68
Rot. Bonds4

About 2-(trimethylsilylmethylsulfanyl)acetic acid

2-(trimethylsilylmethylsulfanyl)acetic acid (PubChem CID 57226652) has the molecular formula C6H14O2SSi and a molecular weight of 178.33 g/mol. Its IUPAC name is 2-(trimethylsilylmethylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(trimethylsilylmethylsulfanyl)acetic acid
PubChem CID57226652
Molecular FormulaC6H14O2SSi
Molecular Weight178.33 g/mol
Exact Mass178.05
IUPAC Name2-(trimethylsilylmethylsulfanyl)acetic acid
SMILESC[Si](C)(C)CSCC(=O)O
InChIInChI=1S/C6H14O2SSi/c1-10(2,3)5-9-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
InChIKeyIEPHFLVHJJBTJK-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(trimethylsilylmethylsulfanyl)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-(trimethylsilylmethylsulfanyl)acetic acid?
The IUPAC name of 2-(trimethylsilylmethylsulfanyl)acetic acid (CID 57226652) is 2-(trimethylsilylmethylsulfanyl)acetic acid.
What is the SMILES notation for 2-(trimethylsilylmethylsulfanyl)acetic acid?
The canonical SMILES for 2-(trimethylsilylmethylsulfanyl)acetic acid is C[Si](C)(C)CSCC(=O)O.
What is the InChIKey of 2-(trimethylsilylmethylsulfanyl)acetic acid?
The InChIKey is IEPHFLVHJJBTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2SSi/c1-10(2,3)5-9-4-6(7)8/h4-5H2,1-3H3,(H,7,8).
What are the key properties of 2-(trimethylsilylmethylsulfanyl)acetic acid?
2-(trimethylsilylmethylsulfanyl)acetic acid has a molecular weight of 178.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilylmethylsulfanyl)acetic acid is sourced from PubChem (CID 57226652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).