[2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium

C15H17FNS+ — CID 6947788

IUPAC[2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1Sc1ccccc1F
InChIInChI=1S/C15H16FNS/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-10H,11H2,1-2H3/p+1
InChIKeyDGIXGFLLPLFEJD-UHFFFAOYSA-O
MW262.37 g/mol
LogP2.62
Rot. Bonds4

About [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium

[2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium (PubChem CID 6947788) has the molecular formula C15H17FNS+ and a molecular weight of 262.37 g/mol. Its IUPAC name is [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium
PubChem CID6947788
Molecular FormulaC15H17FNS+
Molecular Weight262.37 g/mol
Exact Mass262.11
IUPAC Name[2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1Sc1ccccc1F
InChIInChI=1S/C15H16FNS/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-10H,11H2,1-2H3/p+1
InChIKeyDGIXGFLLPLFEJD-UHFFFAOYSA-O
XLogP2.62
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium?
The IUPAC name of [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium (CID 6947788) is [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium?
The canonical SMILES for [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccccc1Sc1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium?
The InChIKey is DGIXGFLLPLFEJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16FNS/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-10H,11H2,1-2H3/p+1.
What are the key properties of [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium?
[2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium has a molecular weight of 262.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)sulfanylphenyl]methyl-dimethylazanium is sourced from PubChem (CID 6947788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).