Methylethyl(silatrane-1-ylmethyl)sulfonium
Basic information
- CAS
67349-09-1- Standard SMILES
CC[S+](C)C[Si]12OCCN(CCO1)CCO2.[I-]- InChIKey
WFIZYGMIIMLKQI-UHFFFAOYSA-M- Molecular formula
- C10H22INO3SSi
- Average molar mass
- 391.34 g/mol
- Monoisotopic mass
- 391.01344
Overview
RN given refers to the iodide; RN for parent cpd not available 7/89
Names & identifiers
- Preferred name
- Methylethyl(silatrane-1-ylmethyl)sulfonium
- IUPAC
- ethyl-methyl-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-ylmethyl)sulfanium iodide
- English name
- methylethyl(silatrane-1-ylmethyl)sulfonium
- Molecular weight
- 0
Names & synonyms
MSYSMethylethyl(silatrane-1-ylmethyl)sulfonium67353-53-1RefChem:92579367349-09-1Silicon(1+), (ethylmethylsulfonium eta-methylide)((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')-, iodide, (TB-5-23)-SCHEMBL29352239DTXSID00986613Methylethyl(silatran-1-ylmethyl)sulfonium iodideSulfonium, ethylmethyl(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undec-1-ylmethyl)-, iodideEthyl(methyl)[(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)methyl]sulfanium iodide
Database identifiers
- CAS
67349-09-1、67353-53-1- PubChem CID
- 129840
- DTXSID
DTXSID00986613
Properties
Computed structural properties
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 206
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Related reactions
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Compound notes
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