Silane, trimethyl[2-(phenylthio)ethoxy]-
PubChem CID
553448
Structure
Molecular Formula
Synonyms
- Silane, trimethyl[2-(phenylthio)ethoxy]-
- trimethyl(2-phenylsulfanylethoxy)silane
- 16654-71-0
- 2-(Phenylthio)ethanol, TMS derivative
- Trimethyl[2-(phenylthio)ethoxy]silane
Molecular Weight
226.41 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-02-01
Chemical Structure Depiction
trimethyl(2-phenylsulfanylethoxy)silane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H18OSSi/c1-14(2,3)12-9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
HKIAJKAAQOMBLB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C[Si](C)(C)OCCSC1=CC=CC=C1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H18OSSi
Computed by PubChem 2.2 (PubChem release 2021.10.14)
16654-71-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
226.41 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
226.08476290 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
226.08476290 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
34.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
150
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
MoNA ID
MS Category
Experimental
MS Type
Other
MS Level
MS1
Instrument Type
in-silico QTOF
Ionization Mode
positive
Top 5 Peaks
226 100
109 85.10
117 48.90
77 41.70
211 36.30
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HKIAJKAAQOMBLB-UHFFFAOYSA-N
- EPA DSSToxTrimethyl[2-(phenylthio)ethoxy]silanehttps://comptox.epa.gov/dashboard/DTXSID301347541
- Japan Chemical Substance Dictionary (Nikkaji)
- MassBank of North America (MoNA)LICENSEThe content of the MoNA database is licensed under CC BY 4.0.https://mona.fiehnlab.ucdavis.edu/documentation/license
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law2-(Phenylthio)ethanol, TMS derivativehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseSilane, trimethyl[2-(phenylthio)ethoxy]-https://spectrabase.com/spectrum/HtgLLB9tm9aSilane, trimethyl[2-(phenylthio)ethoxy]-https://spectrabase.com/spectrum/40Um3YYyylz
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- PubChem
- PATENTSCOPE (WIPO)SID 470959533https://pubchem.ncbi.nlm.nih.gov/substance/470959533
CONTENTS