cyclopropyl(diphenyl)sulfanium tetrafluoroborate

C15H15BF4S — CID 2724210

IUPACcyclopropyl(diphenyl)sulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc([S+](c2ccccc2)C2CC2)cc1
InChIInChI=1S/C15H15S.BF4/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14;2-1(3,4)5/h1-10,15H,11-12H2;/q+1;-1
InChIKeyDWEYKSWKFYZEGZ-UHFFFAOYSA-N
MW314.16 g/mol
LogP5.19
Rot. Bonds3

About cyclopropyl(diphenyl)sulfanium tetrafluoroborate

cyclopropyl(diphenyl)sulfanium tetrafluoroborate (PubChem CID 2724210) has the molecular formula C15H15BF4S and a molecular weight of 314.16 g/mol. Its IUPAC name is cyclopropyl(diphenyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namecyclopropyl(diphenyl)sulfanium tetrafluoroborate
PubChem CID2724210
Molecular FormulaC15H15BF4S
Molecular Weight314.16 g/mol
Exact Mass314.09
IUPAC Namecyclopropyl(diphenyl)sulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc([S+](c2ccccc2)C2CC2)cc1
InChIInChI=1S/C15H15S.BF4/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14;2-1(3,4)5/h1-10,15H,11-12H2;/q+1;-1
InChIKeyDWEYKSWKFYZEGZ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.16
LogP ≤ 55.19
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 cyclopropyl(diphenyl)sulfanium tetrafluoroborate?
The IUPAC name of cyclopropyl(diphenyl)sulfanium tetrafluoroborate (CID 2724210) is cyclopropyl(diphenyl)sulfanium tetrafluoroborate.
What is the SMILES notation for cyclopropyl(diphenyl)sulfanium tetrafluoroborate?
The canonical SMILES for cyclopropyl(diphenyl)sulfanium tetrafluoroborate is F[B-](F)(F)F.c1ccc([S+](c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(diphenyl)sulfanium tetrafluoroborate?
The InChIKey is DWEYKSWKFYZEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15S.BF4/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14;2-1(3,4)5/h1-10,15H,11-12H2;/q+1;-1.
What are the key properties of cyclopropyl(diphenyl)sulfanium tetrafluoroborate?
cyclopropyl(diphenyl)sulfanium tetrafluoroborate has a molecular weight of 314.16 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(diphenyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 2724210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).