trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane

C17H22SSi — CID 12572046

IUPACtrimethyl-(2-phenyl-1-phenylsulfanylethyl)silane
SMILESC[Si](C)(C)C(Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H22SSi/c1-19(2,3)17(14-15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyIJAOESHJDYPHKY-UHFFFAOYSA-N
MW286.52 g/mol
LogP5.27
Rot. Bonds5

About trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane

trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane (PubChem CID 12572046) has the molecular formula C17H22SSi and a molecular weight of 286.52 g/mol. Its IUPAC name is trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane.

Molecular Properties

Compound Nametrimethyl-(2-phenyl-1-phenylsulfanylethyl)silane
PubChem CID12572046
Molecular FormulaC17H22SSi
Molecular Weight286.52 g/mol
Exact Mass286.12
IUPAC Nametrimethyl-(2-phenyl-1-phenylsulfanylethyl)silane
SMILESC[Si](C)(C)C(Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H22SSi/c1-19(2,3)17(14-15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyIJAOESHJDYPHKY-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyl phenyl sulfide
CID 13255
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-bis(phenylthio)toluene
CID 608010
Phenyl styryl sulfide
CID 611297
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
4,4'-Bis(ethylthio)biphenyl
CID 4026825
4-Methylbenzyl phenyl sulfide
CID 4609867
4-Fluorobenzyl phenyl sulfide
CID 2737284
1,1'-(Sulfanediyldi(ethane-1,1-diyl))dibenzene
CID 248893
1-Fluoro-4-[(phenylmethyl)thio]benzene
CID 12261863
1,2-Bis(p-tolylthio)ethane
CID 220235

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane?
The IUPAC name of trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane (CID 12572046) is trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane.
What is the SMILES notation for trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane?
The canonical SMILES for trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane is C[Si](C)(C)C(Cc1ccccc1)Sc1ccccc1.
What is the InChIKey of trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane?
The InChIKey is IJAOESHJDYPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22SSi/c1-19(2,3)17(14-15-10-6-4-7-11-15)18-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane?
trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane has a molecular weight of 286.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane is sourced from PubChem (CID 12572046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).