methyl(diphenyl)sulfanium tetrafluoroborate

C13H13BF4S — CID 2758717

IUPACmethyl(diphenyl)sulfanium tetrafluoroborate
SMILESC[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C13H13S.BF4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1(3,4)5/h2-11H,1H3;/q+1;-1
InChIKeyLHAMVDBAOJCBDW-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.65
Rot. Bonds2

About methyl(diphenyl)sulfanium tetrafluoroborate

methyl(diphenyl)sulfanium tetrafluoroborate (PubChem CID 2758717) has the molecular formula C13H13BF4S and a molecular weight of 288.12 g/mol. Its IUPAC name is methyl(diphenyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namemethyl(diphenyl)sulfanium tetrafluoroborate
PubChem CID2758717
Molecular FormulaC13H13BF4S
Molecular Weight288.12 g/mol
Exact Mass288.08
IUPAC Namemethyl(diphenyl)sulfanium tetrafluoroborate
SMILESC[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C13H13S.BF4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1(3,4)5/h2-11H,1H3;/q+1;-1
InChIKeyLHAMVDBAOJCBDW-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.65
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 methyl(diphenyl)sulfanium tetrafluoroborate?
The IUPAC name of methyl(diphenyl)sulfanium tetrafluoroborate (CID 2758717) is methyl(diphenyl)sulfanium tetrafluoroborate.
What is the SMILES notation for methyl(diphenyl)sulfanium tetrafluoroborate?
The canonical SMILES for methyl(diphenyl)sulfanium tetrafluoroborate is C[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of methyl(diphenyl)sulfanium tetrafluoroborate?
The InChIKey is LHAMVDBAOJCBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13S.BF4/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1(3,4)5/h2-11H,1H3;/q+1;-1.
What are the key properties of methyl(diphenyl)sulfanium tetrafluoroborate?
methyl(diphenyl)sulfanium tetrafluoroborate has a molecular weight of 288.12 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(diphenyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 2758717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).