bromo-fluoro-phenylsulfanium

C6H5BrFS+ — CID 88920909

IUPACbromo-fluoro-phenylsulfanium
SMILESF[S+](Br)c1ccccc1
InChIInChI=1S/C6H5BrFS/c7-9(8)6-4-2-1-3-5-6/h1-5H/q+1
InChIKeyHZWIBBSMUUGPFU-UHFFFAOYSA-N
MW208.08 g/mol
LogP2.86
Rot. Bonds1

About bromo-fluoro-phenylsulfanium

bromo-fluoro-phenylsulfanium (PubChem CID 88920909) has the molecular formula C6H5BrFS+ and a molecular weight of 208.08 g/mol. Its IUPAC name is bromo-fluoro-phenylsulfanium.

Molecular Properties

Compound Namebromo-fluoro-phenylsulfanium
PubChem CID88920909
Molecular FormulaC6H5BrFS+
Molecular Weight208.08 g/mol
Exact Mass206.93
IUPAC Namebromo-fluoro-phenylsulfanium
SMILESF[S+](Br)c1ccccc1
InChIInChI=1S/C6H5BrFS/c7-9(8)6-4-2-1-3-5-6/h1-5H/q+1
InChIKeyHZWIBBSMUUGPFU-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 52.86
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 bromo-fluoro-phenylsulfanium?
The IUPAC name of bromo-fluoro-phenylsulfanium (CID 88920909) is bromo-fluoro-phenylsulfanium.
What is the SMILES notation for bromo-fluoro-phenylsulfanium?
The canonical SMILES for bromo-fluoro-phenylsulfanium is F[S+](Br)c1ccccc1.
What is the InChIKey of bromo-fluoro-phenylsulfanium?
The InChIKey is HZWIBBSMUUGPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFS/c7-9(8)6-4-2-1-3-5-6/h1-5H/q+1.
What are the key properties of bromo-fluoro-phenylsulfanium?
bromo-fluoro-phenylsulfanium has a molecular weight of 208.08 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-fluoro-phenylsulfanium is sourced from PubChem (CID 88920909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).