(2-fluoro-5-phenylphenyl)-dimethylsulfanium

C14H14FS+ — CID 175896214

IUPAC(2-fluoro-5-phenylphenyl)-dimethylsulfanium
SMILESC[S+](C)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C14H14FS/c1-16(2)14-10-12(8-9-13(14)15)11-6-4-3-5-7-11/h3-10H,1-2H3/q+1
InChIKeyKIHNUNKZTUHZPH-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.73
Rot. Bonds2

About (2-fluoro-5-phenylphenyl)-dimethylsulfanium

(2-fluoro-5-phenylphenyl)-dimethylsulfanium (PubChem CID 175896214) has the molecular formula C14H14FS+ and a molecular weight of 233.33 g/mol. Its IUPAC name is (2-fluoro-5-phenylphenyl)-dimethylsulfanium.

Molecular Properties

Compound Name(2-fluoro-5-phenylphenyl)-dimethylsulfanium
PubChem CID175896214
Molecular FormulaC14H14FS+
Molecular Weight233.33 g/mol
Exact Mass233.08
IUPAC Name(2-fluoro-5-phenylphenyl)-dimethylsulfanium
SMILESC[S+](C)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C14H14FS/c1-16(2)14-10-12(8-9-13(14)15)11-6-4-3-5-7-11/h3-10H,1-2H3/q+1
InChIKeyKIHNUNKZTUHZPH-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.73
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 (2-fluoro-5-phenylphenyl)-dimethylsulfanium?
The IUPAC name of (2-fluoro-5-phenylphenyl)-dimethylsulfanium (CID 175896214) is (2-fluoro-5-phenylphenyl)-dimethylsulfanium.
What is the SMILES notation for (2-fluoro-5-phenylphenyl)-dimethylsulfanium?
The canonical SMILES for (2-fluoro-5-phenylphenyl)-dimethylsulfanium is C[S+](C)c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of (2-fluoro-5-phenylphenyl)-dimethylsulfanium?
The InChIKey is KIHNUNKZTUHZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FS/c1-16(2)14-10-12(8-9-13(14)15)11-6-4-3-5-7-11/h3-10H,1-2H3/q+1.
What are the key properties of (2-fluoro-5-phenylphenyl)-dimethylsulfanium?
(2-fluoro-5-phenylphenyl)-dimethylsulfanium has a molecular weight of 233.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-phenylphenyl)-dimethylsulfanium is sourced from PubChem (CID 175896214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).