S-[methoxy(dimethyl)silyl] ethanethioate

C5H12O2SSi — CID 174413376

IUPACS-[methoxy(dimethyl)silyl] ethanethioate
SMILESCO[Si](C)(C)SC(C)=O
InChIInChI=1S/C5H12O2SSi/c1-5(6)8-9(3,4)7-2/h1-4H3
InChIKeyDPSUHQNXPYWOTL-UHFFFAOYSA-N
MW164.30 g/mol
LogP1.61
Rot. Bonds2

About S-[methoxy(dimethyl)silyl] ethanethioate

S-[methoxy(dimethyl)silyl] ethanethioate (PubChem CID 174413376) has the molecular formula C5H12O2SSi and a molecular weight of 164.30 g/mol. Its IUPAC name is S-[methoxy(dimethyl)silyl] ethanethioate.

Molecular Properties

Compound NameS-[methoxy(dimethyl)silyl] ethanethioate
PubChem CID174413376
Molecular FormulaC5H12O2SSi
Molecular Weight164.30 g/mol
Exact Mass164.03
IUPAC NameS-[methoxy(dimethyl)silyl] ethanethioate
SMILESCO[Si](C)(C)SC(C)=O
InChIInChI=1S/C5H12O2SSi/c1-5(6)8-9(3,4)7-2/h1-4H3
InChIKeyDPSUHQNXPYWOTL-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze S-[methoxy(dimethyl)silyl] ethanethioate 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 S-[methoxy(dimethyl)silyl] ethanethioate?
The IUPAC name of S-[methoxy(dimethyl)silyl] ethanethioate (CID 174413376) is S-[methoxy(dimethyl)silyl] ethanethioate.
What is the SMILES notation for S-[methoxy(dimethyl)silyl] ethanethioate?
The canonical SMILES for S-[methoxy(dimethyl)silyl] ethanethioate is CO[Si](C)(C)SC(C)=O.
What is the InChIKey of S-[methoxy(dimethyl)silyl] ethanethioate?
The InChIKey is DPSUHQNXPYWOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2SSi/c1-5(6)8-9(3,4)7-2/h1-4H3.
What are the key properties of S-[methoxy(dimethyl)silyl] ethanethioate?
S-[methoxy(dimethyl)silyl] ethanethioate has a molecular weight of 164.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[methoxy(dimethyl)silyl] ethanethioate is sourced from PubChem (CID 174413376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).