methyl(dioctyl)sulfanium tetrafluoroborate

C17H37BF4S — CID 139757759

IUPACmethyl(dioctyl)sulfanium tetrafluoroborate
SMILESCCCCCCCC[S+](C)CCCCCCCC.F[B-](F)(F)F
InChIInChI=1S/C17H37S.BF4/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;2-1(3,4)5/h4-17H2,1-3H3;/q+1;-1
InChIKeyPSWPQBONMGNYIK-UHFFFAOYSA-N
MW360.35 g/mol
LogP7.26
Rot. Bonds14

About methyl(dioctyl)sulfanium tetrafluoroborate

methyl(dioctyl)sulfanium tetrafluoroborate (PubChem CID 139757759) has the molecular formula C17H37BF4S and a molecular weight of 360.35 g/mol. Its IUPAC name is methyl(dioctyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namemethyl(dioctyl)sulfanium tetrafluoroborate
PubChem CID139757759
Molecular FormulaC17H37BF4S
Molecular Weight360.35 g/mol
Exact Mass360.26
IUPAC Namemethyl(dioctyl)sulfanium tetrafluoroborate
SMILESCCCCCCCC[S+](C)CCCCCCCC.F[B-](F)(F)F
InChIInChI=1S/C17H37S.BF4/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;2-1(3,4)5/h4-17H2,1-3H3;/q+1;-1
InChIKeyPSWPQBONMGNYIK-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.35
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-octadecyl-octylsulfanium
CID 88709948
ethyl-hexyl-methylsulfanium
CID 117059410
2-carboxyethyl-hexadecyl-methylsulfanium bromide
CID 45048288
dimethyl(tetradecyl)sulfanium bromide
CID 158828047
dodecyl(dimethyl)sulfanium bromide
CID 24745202
trioctylsulfanium
CID 21452185
hexyl(dipentyl)sulfanium
CID 141102633
acetonitrile;nonane;tetrafluoroborate
CID 175569585
dodecylazanium tetrafluoroborate
CID 141181929
butane;pentakis(heptane);methane
CID 160660769
heptadecane;hydrazine
CID 174880698
butane;ethane;heptane
CID 143121250

Frequently Asked Questions

What is the IUPAC name of methyl(dioctyl)sulfanium tetrafluoroborate?
The IUPAC name of methyl(dioctyl)sulfanium tetrafluoroborate (CID 139757759) is methyl(dioctyl)sulfanium tetrafluoroborate.
What is the SMILES notation for methyl(dioctyl)sulfanium tetrafluoroborate?
The canonical SMILES for methyl(dioctyl)sulfanium tetrafluoroborate is CCCCCCCC[S+](C)CCCCCCCC.F[B-](F)(F)F.
What is the InChIKey of methyl(dioctyl)sulfanium tetrafluoroborate?
The InChIKey is PSWPQBONMGNYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37S.BF4/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;2-1(3,4)5/h4-17H2,1-3H3;/q+1;-1.
What are the key properties of methyl(dioctyl)sulfanium tetrafluoroborate?
methyl(dioctyl)sulfanium tetrafluoroborate has a molecular weight of 360.35 g/mol, XLogP of 7.26, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(dioctyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 139757759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).