triethylsulfanium tetrafluoroborate

C6H15BF4S — CID 3083564

IUPACtriethylsulfanium tetrafluoroborate
SMILESCC[S+](CC)CC.F[B-](F)(F)F
InChIInChI=1S/C6H15S.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
InChIKeyZHCOPRRLRPZVDR-UHFFFAOYSA-N
MW206.06 g/mol
LogP2.96
Rot. Bonds3

About triethylsulfanium tetrafluoroborate

triethylsulfanium tetrafluoroborate (PubChem CID 3083564) has the molecular formula C6H15BF4S and a molecular weight of 206.06 g/mol. Its IUPAC name is triethylsulfanium tetrafluoroborate.

Molecular Properties

Compound Nametriethylsulfanium tetrafluoroborate
PubChem CID3083564
Molecular FormulaC6H15BF4S
Molecular Weight206.06 g/mol
Exact Mass206.09
IUPAC Nametriethylsulfanium tetrafluoroborate
SMILESCC[S+](CC)CC.F[B-](F)(F)F
InChIInChI=1S/C6H15S.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
InChIKeyZHCOPRRLRPZVDR-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 52.96
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 triethylsulfanium tetrafluoroborate?
The IUPAC name of triethylsulfanium tetrafluoroborate (CID 3083564) is triethylsulfanium tetrafluoroborate.
What is the SMILES notation for triethylsulfanium tetrafluoroborate?
The canonical SMILES for triethylsulfanium tetrafluoroborate is CC[S+](CC)CC.F[B-](F)(F)F.
What is the InChIKey of triethylsulfanium tetrafluoroborate?
The InChIKey is ZHCOPRRLRPZVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15S.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1.
What are the key properties of triethylsulfanium tetrafluoroborate?
triethylsulfanium tetrafluoroborate has a molecular weight of 206.06 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsulfanium tetrafluoroborate is sourced from PubChem (CID 3083564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).