diethyl(methyl)sulfanium tetrafluoroborate

C5H13BF4S — CID 141180949

IUPACdiethyl(methyl)sulfanium tetrafluoroborate
SMILESCC[S+](C)CC.F[B-](F)(F)F
InChIInChI=1S/C5H13S.BF4/c1-4-6(3)5-2;2-1(3,4)5/h4-5H2,1-3H3;/q+1;-1
InChIKeyDYCDXZSJPPUCHV-UHFFFAOYSA-N
MW192.03 g/mol
LogP2.57
Rot. Bonds2

About diethyl(methyl)sulfanium tetrafluoroborate

diethyl(methyl)sulfanium tetrafluoroborate (PubChem CID 141180949) has the molecular formula C5H13BF4S and a molecular weight of 192.03 g/mol. Its IUPAC name is diethyl(methyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namediethyl(methyl)sulfanium tetrafluoroborate
PubChem CID141180949
Molecular FormulaC5H13BF4S
Molecular Weight192.03 g/mol
Exact Mass192.08
IUPAC Namediethyl(methyl)sulfanium tetrafluoroborate
SMILESCC[S+](C)CC.F[B-](F)(F)F
InChIInChI=1S/C5H13S.BF4/c1-4-6(3)5-2;2-1(3,4)5/h4-5H2,1-3H3;/q+1;-1
InChIKeyDYCDXZSJPPUCHV-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 52.57
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 diethyl(methyl)sulfanium tetrafluoroborate?
The IUPAC name of diethyl(methyl)sulfanium tetrafluoroborate (CID 141180949) is diethyl(methyl)sulfanium tetrafluoroborate.
What is the SMILES notation for diethyl(methyl)sulfanium tetrafluoroborate?
The canonical SMILES for diethyl(methyl)sulfanium tetrafluoroborate is CC[S+](C)CC.F[B-](F)(F)F.
What is the InChIKey of diethyl(methyl)sulfanium tetrafluoroborate?
The InChIKey is DYCDXZSJPPUCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13S.BF4/c1-4-6(3)5-2;2-1(3,4)5/h4-5H2,1-3H3;/q+1;-1.
What are the key properties of diethyl(methyl)sulfanium tetrafluoroborate?
diethyl(methyl)sulfanium tetrafluoroborate has a molecular weight of 192.03 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 141180949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).