Basic information
- CAS
40055-63-8- Standard SMILES
CCO[Si](CCSC(C)=O)(OCC)OCC- InChIKey
FPQLAGZIFPNCND-UHFFFAOYSA-N- Molecular formula
- C10H22O4SSi
- Average molar mass
- 266.43 g/mol
- Monoisotopic mass
- 266.10080689
Names & identifiers
- Preferred name
- Acetic acid, thio-, S-ester with (2-mercaptoethyl)triethoxysilane
- IUPAC
- S-(2-triethoxysilylethyl) ethanethioate
- English name
- Thioacetic acid S-[2-(triethoxysilyl)ethyl] ester
- Molecular formula
- C10H22O4SSi
- Molecular weight
- 266.43
Names & synonyms
40055-63-8BRN 2258665Silane, (2-acetothioethyl)triethoxy-Ethanethiol, 2-(triethoxysilyl)-, thioacetateACETIC ACID, THIO-, S-ESTER with (2-MERCAPTOETHYL)TRIETHOXYSILANEDTXSID30193116RefChem:316703DTXCID40115607Thioacetic acid S-[2-(triethoxysilyl)ethyl] esterSCHEMBL3680496S-[2-(triethoxysilyl)ethyl] ethanethioateEthanethioic acid, S-[2-(triethoxysilyl)ethyl] ester
Database identifiers
- CAS
40055-63-8- PubChem CID
- 38381
- DTXSID
DTXSID30193116- Nikkaji
- J55.341G
Properties
Computed structural properties
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 272.5 · 272.5±23.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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