(4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium

C19H16FS+ — CID 59733796

IUPAC(4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium
SMILESCc1ccccc1[S+](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H16FS/c1-15-7-5-6-10-19(15)21(17-8-3-2-4-9-17)18-13-11-16(20)12-14-18/h2-14H,1H3/q+1
InChIKeyRHTUGYKWZFVNQZ-UHFFFAOYSA-N
MW295.40 g/mol
LogP5.23
Rot. Bonds3

About (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium

(4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium (PubChem CID 59733796) has the molecular formula C19H16FS+ and a molecular weight of 295.40 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium
PubChem CID59733796
Molecular FormulaC19H16FS+
Molecular Weight295.40 g/mol
Exact Mass295.10
IUPAC Name(4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium
SMILESCc1ccccc1[S+](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H16FS/c1-15-7-5-6-10-19(15)21(17-8-3-2-4-9-17)18-13-11-16(20)12-14-18/h2-14H,1H3/q+1
InChIKeyRHTUGYKWZFVNQZ-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexafluoroarsenic(1-);(2-methylphenyl)-diphenylsulfanium
CID 23133107
(4-fluorophenyl)-diphenylsulfanium
CID 3497654
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)
CID 173312038
bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate
CID 23133077
1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane;(2-methylphenyl)-diphenylsulfanium
CID 159160360
bis(4-fluorophenyl)-(4-phenylsulfanylphenyl)sulfanium;bis(4-hydroxyphenyl)-(4-phenylsulfanylphenyl)sulfanium;(2-chlorophenyl)-(3-chloro-4-phenylsulfanylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;bis((2-methylphenyl)-(3-methyl-4-phenylsulfanylphenyl)-phenylsulfanium)
CID 158992949
(4-fluorophenyl)-phenyl-(4-trimethylsilylphenyl)sulfanium
CID 177286387
(4-tert-butyl-2-methylphenyl)-(4-tert-butylphenyl)-phenylsulfanium
CID 154007120
[4-[(4-iodophenyl)methyl]phenyl]-bis(2-methylphenyl)sulfanium
CID 172758929
(2,3-dimethylphenyl)-(4-methoxyphenyl)-phenylsulfanium
CID 151044563
bis(4-fluorophenyl)-phenylsulfanium;(2,4-dimethylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 161050471
(4-tert-butylphenyl)-bis(4-fluorophenyl)sulfanium
CID 87944098

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium?
The IUPAC name of (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium (CID 59733796) is (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium.
What is the SMILES notation for (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium?
The canonical SMILES for (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium is Cc1ccccc1[S+](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium?
The InChIKey is RHTUGYKWZFVNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FS/c1-15-7-5-6-10-19(15)21(17-8-3-2-4-9-17)18-13-11-16(20)12-14-18/h2-14H,1H3/q+1.
What are the key properties of (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium?
(4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium has a molecular weight of 295.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-methylphenyl)-phenylsulfanium is sourced from PubChem (CID 59733796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).