diethyl(9H-fluoren-9-yl)sulfanium

C17H19S+ — CID 140825236

IUPACdiethyl(9H-fluoren-9-yl)sulfanium
SMILESCC[S+](CC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H19S/c1-3-18(4-2)17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12,17H,3-4H2,1-2H3/q+1
InChIKeyYZWKANPPVROJJL-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.41
Rot. Bonds3

About diethyl(9H-fluoren-9-yl)sulfanium

diethyl(9H-fluoren-9-yl)sulfanium (PubChem CID 140825236) has the molecular formula C17H19S+ and a molecular weight of 255.41 g/mol. Its IUPAC name is diethyl(9H-fluoren-9-yl)sulfanium.

Molecular Properties

Compound Namediethyl(9H-fluoren-9-yl)sulfanium
PubChem CID140825236
Molecular FormulaC17H19S+
Molecular Weight255.41 g/mol
Exact Mass255.12
IUPAC Namediethyl(9H-fluoren-9-yl)sulfanium
SMILESCC[S+](CC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H19S/c1-3-18(4-2)17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12,17H,3-4H2,1-2H3/q+1
InChIKeyYZWKANPPVROJJL-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(9H-fluoren-9-yl)sulfanium?
The IUPAC name of diethyl(9H-fluoren-9-yl)sulfanium (CID 140825236) is diethyl(9H-fluoren-9-yl)sulfanium.
What is the SMILES notation for diethyl(9H-fluoren-9-yl)sulfanium?
The canonical SMILES for diethyl(9H-fluoren-9-yl)sulfanium is CC[S+](CC)C1c2ccccc2-c2ccccc21.
What is the InChIKey of diethyl(9H-fluoren-9-yl)sulfanium?
The InChIKey is YZWKANPPVROJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19S/c1-3-18(4-2)17-15-11-7-5-9-13(15)14-10-6-8-12-16(14)17/h5-12,17H,3-4H2,1-2H3/q+1.
What are the key properties of diethyl(9H-fluoren-9-yl)sulfanium?
diethyl(9H-fluoren-9-yl)sulfanium has a molecular weight of 255.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(9H-fluoren-9-yl)sulfanium is sourced from PubChem (CID 140825236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).