trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane

C11H17F3NSSi+ — CID 10788706

IUPACtrimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane
SMILESC[n+]1cc(C(F)(F)F)ccc1SC[Si](C)(C)C
InChIInChI=1S/C11H17F3NSSi/c1-15-7-9(11(12,13)14)5-6-10(15)16-8-17(2,3)4/h5-7H,8H2,1-4H3/q+1
InChIKeyAGGWDYAULZEWIV-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.50
Rot. Bonds3

About trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane

trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane (PubChem CID 10788706) has the molecular formula C11H17F3NSSi+ and a molecular weight of 280.41 g/mol. Its IUPAC name is trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane.

Molecular Properties

Compound Nametrimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane
PubChem CID10788706
Molecular FormulaC11H17F3NSSi+
Molecular Weight280.41 g/mol
Exact Mass280.08
IUPAC Nametrimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane
SMILESC[n+]1cc(C(F)(F)F)ccc1SC[Si](C)(C)C
InChIInChI=1S/C11H17F3NSSi/c1-15-7-9(11(12,13)14)5-6-10(15)16-8-17(2,3)4/h5-7H,8H2,1-4H3/q+1
InChIKeyAGGWDYAULZEWIV-UHFFFAOYSA-N
XLogP3.50
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide
CID 44890101
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
CID 154390518
CID 154390518
2-(1-methylsulfanylprop-1-en-2-yl)-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]propanedinitrile
CID 175456772
bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
CID 171930237
[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
CID 14523014
N-ethyl-N-[methyl-bis[4-(trifluoromethyl)phenyl]silyl]ethanamine
CID 86216922
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
1-methoxy-4-methyl-2-[4-(trifluoromethyl)phenyl]triazol-1-ium
CID 90111333
2-ethylsulfanyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazole
CID 47124469
4-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbonitrile
CID 63881365

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane?
The IUPAC name of trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane (CID 10788706) is trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane.
What is the SMILES notation for trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane?
The canonical SMILES for trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane is C[n+]1cc(C(F)(F)F)ccc1SC[Si](C)(C)C.
What is the InChIKey of trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane?
The InChIKey is AGGWDYAULZEWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3NSSi/c1-15-7-9(11(12,13)14)5-6-10(15)16-8-17(2,3)4/h5-7H,8H2,1-4H3/q+1.
What are the key properties of trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane?
trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane has a molecular weight of 280.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane is sourced from PubChem (CID 10788706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).