ethyl(dimethyl)sulfanium tetrafluoroborate

C4H11BF4S — CID 11298279

IUPACethyl(dimethyl)sulfanium tetrafluoroborate
SMILESCC[S+](C)C.F[B-](F)(F)F
InChIInChI=1S/C4H11S.BF4/c1-4-5(2)3;2-1(3,4)5/h4H2,1-3H3;/q+1;-1
InChIKeyDYCANICEZYZOMN-UHFFFAOYSA-N
MW178.00 g/mol
LogP2.18
Rot. Bonds1

About ethyl(dimethyl)sulfanium tetrafluoroborate

ethyl(dimethyl)sulfanium tetrafluoroborate (PubChem CID 11298279) has the molecular formula C4H11BF4S and a molecular weight of 178.00 g/mol. Its IUPAC name is ethyl(dimethyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Nameethyl(dimethyl)sulfanium tetrafluoroborate
PubChem CID11298279
Molecular FormulaC4H11BF4S
Molecular Weight178.00 g/mol
Exact Mass178.06
IUPAC Nameethyl(dimethyl)sulfanium tetrafluoroborate
SMILESCC[S+](C)C.F[B-](F)(F)F
InChIInChI=1S/C4H11S.BF4/c1-4-5(2)3;2-1(3,4)5/h4H2,1-3H3;/q+1;-1
InChIKeyDYCANICEZYZOMN-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl(dimethyl)sulfanium tetrafluoroborate?
The IUPAC name of ethyl(dimethyl)sulfanium tetrafluoroborate (CID 11298279) is ethyl(dimethyl)sulfanium tetrafluoroborate.
What is the SMILES notation for ethyl(dimethyl)sulfanium tetrafluoroborate?
The canonical SMILES for ethyl(dimethyl)sulfanium tetrafluoroborate is CC[S+](C)C.F[B-](F)(F)F.
What is the InChIKey of ethyl(dimethyl)sulfanium tetrafluoroborate?
The InChIKey is DYCANICEZYZOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11S.BF4/c1-4-5(2)3;2-1(3,4)5/h4H2,1-3H3;/q+1;-1.
What are the key properties of ethyl(dimethyl)sulfanium tetrafluoroborate?
ethyl(dimethyl)sulfanium tetrafluoroborate has a molecular weight of 178.00 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dimethyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 11298279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).