triphenylsulfanium bromide

C18H15BrS — CID 11984010

IUPACtriphenylsulfanium bromide
SMILES[Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
InChIKeyVMJFYMAHEGJHFH-UHFFFAOYSA-M
MW343.29 g/mol
LogP1.79
Rot. Bonds3

About triphenylsulfanium bromide

triphenylsulfanium bromide (PubChem CID 11984010) has the molecular formula C18H15BrS and a molecular weight of 343.29 g/mol. Its IUPAC name is triphenylsulfanium bromide.

Molecular Properties

Compound Nametriphenylsulfanium bromide
PubChem CID11984010
Molecular FormulaC18H15BrS
Molecular Weight343.29 g/mol
Exact Mass342.01
IUPAC Nametriphenylsulfanium bromide
SMILES[Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
InChIKeyVMJFYMAHEGJHFH-UHFFFAOYSA-M
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.79
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 triphenylsulfanium bromide?
The IUPAC name of triphenylsulfanium bromide (CID 11984010) is triphenylsulfanium bromide.
What is the SMILES notation for triphenylsulfanium bromide?
The canonical SMILES for triphenylsulfanium bromide is [Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenylsulfanium bromide?
The InChIKey is VMJFYMAHEGJHFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15S.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1.
What are the key properties of triphenylsulfanium bromide?
triphenylsulfanium bromide has a molecular weight of 343.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsulfanium bromide is sourced from PubChem (CID 11984010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).