(2-bromophenyl)-diphenylsulfanium

C18H14BrS+ — CID 87494975

IUPAC(2-bromophenyl)-diphenylsulfanium
SMILESBrc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14BrS/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H/q+1
InChIKeyQMDFEZNUUCYGPG-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.54
Rot. Bonds3

About (2-bromophenyl)-diphenylsulfanium

(2-bromophenyl)-diphenylsulfanium (PubChem CID 87494975) has the molecular formula C18H14BrS+ and a molecular weight of 342.28 g/mol. Its IUPAC name is (2-bromophenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(2-bromophenyl)-diphenylsulfanium
PubChem CID87494975
Molecular FormulaC18H14BrS+
Molecular Weight342.28 g/mol
Exact Mass341.00
IUPAC Name(2-bromophenyl)-diphenylsulfanium
SMILESBrc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14BrS/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H/q+1
InChIKeyQMDFEZNUUCYGPG-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.54
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-bromophenyl)-diphenylsulfanium?
The IUPAC name of (2-bromophenyl)-diphenylsulfanium (CID 87494975) is (2-bromophenyl)-diphenylsulfanium.
What is the SMILES notation for (2-bromophenyl)-diphenylsulfanium?
The canonical SMILES for (2-bromophenyl)-diphenylsulfanium is Brc1ccccc1[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of (2-bromophenyl)-diphenylsulfanium?
The InChIKey is QMDFEZNUUCYGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrS/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H/q+1.
What are the key properties of (2-bromophenyl)-diphenylsulfanium?
(2-bromophenyl)-diphenylsulfanium has a molecular weight of 342.28 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-diphenylsulfanium is sourced from PubChem (CID 87494975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).