(2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium

C15H16FS+ — CID 87429170

IUPAC(2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium
SMILESCc1ccc(C)c([S+](CF)c2ccccc2)c1
InChIInChI=1S/C15H16FS/c1-12-8-9-13(2)15(10-12)17(11-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3/q+1
InChIKeyIDODXOYDHPHLON-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.27
Rot. Bonds3

About (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium

(2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium (PubChem CID 87429170) has the molecular formula C15H16FS+ and a molecular weight of 247.36 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium
PubChem CID87429170
Molecular FormulaC15H16FS+
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium
SMILESCc1ccc(C)c([S+](CF)c2ccccc2)c1
InChIInChI=1S/C15H16FS/c1-12-8-9-13(2)15(10-12)17(11-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3/q+1
InChIKeyIDODXOYDHPHLON-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.27
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 (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium?
The IUPAC name of (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium (CID 87429170) is (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium.
What is the SMILES notation for (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium?
The canonical SMILES for (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium is Cc1ccc(C)c([S+](CF)c2ccccc2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium?
The InChIKey is IDODXOYDHPHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FS/c1-12-8-9-13(2)15(10-12)17(11-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3/q+1.
What are the key properties of (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium?
(2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium has a molecular weight of 247.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(fluoromethyl)-phenylsulfanium is sourced from PubChem (CID 87429170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).