2,2,2-triphenylethylsulfanium bromide

C20H19BrS — CID 172851267

IUPAC2,2,2-triphenylethylsulfanium bromide
SMILES[Br-].[SH2+]CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18S.BrH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,21H,16H2;1H
InChIKeyYCFYWPXOIAPNPD-UHFFFAOYSA-N
MW371.34 g/mol
LogP1.04
Rot. Bonds4

About 2,2,2-triphenylethylsulfanium bromide

2,2,2-triphenylethylsulfanium bromide (PubChem CID 172851267) has the molecular formula C20H19BrS and a molecular weight of 371.34 g/mol. Its IUPAC name is 2,2,2-triphenylethylsulfanium bromide.

Molecular Properties

Compound Name2,2,2-triphenylethylsulfanium bromide
PubChem CID172851267
Molecular FormulaC20H19BrS
Molecular Weight371.34 g/mol
Exact Mass370.04
IUPAC Name2,2,2-triphenylethylsulfanium bromide
SMILES[Br-].[SH2+]CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18S.BrH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,21H,16H2;1H
InChIKeyYCFYWPXOIAPNPD-UHFFFAOYSA-N
XLogP1.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tris(2,2,2-triphenylethanolate);yttrium(3+)
CID 160643710
2,2,2-triphenylethylphosphanium chloride
CID 21496958
tritylazanium iodide
CID 88708906
1,4-bis(2,2,2-triphenylethyl)benzene
CID 3555789
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
3,3,3-triphenylpropan-1-amine
CID 10125450
CID 123237849
CID 123237849
CID 67365449
CID 67365449
3,3,3-triphenylpropylphosphane;hydrobromide
CID 118389375
4,4,4-triphenylbutanoyl chloride
CID 15254182
14,14,14-triphenyltetradecylazanium bromide
CID 69305418

Frequently Asked Questions

What is the IUPAC name of 2,2,2-triphenylethylsulfanium bromide?
The IUPAC name of 2,2,2-triphenylethylsulfanium bromide (CID 172851267) is 2,2,2-triphenylethylsulfanium bromide.
What is the SMILES notation for 2,2,2-triphenylethylsulfanium bromide?
The canonical SMILES for 2,2,2-triphenylethylsulfanium bromide is [Br-].[SH2+]CC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,2-triphenylethylsulfanium bromide?
The InChIKey is YCFYWPXOIAPNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S.BrH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,21H,16H2;1H.
What are the key properties of 2,2,2-triphenylethylsulfanium bromide?
2,2,2-triphenylethylsulfanium bromide has a molecular weight of 371.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-triphenylethylsulfanium bromide is sourced from PubChem (CID 172851267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).