(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'}

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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).