triphenyl(4-sulfanylbutyl)phosphanium bromide

C22H24BrPS — CID 71353664

IUPACtriphenyl(4-sulfanylbutyl)phosphanium bromide
SMILESSCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H23PS.BrH/c24-19-11-10-18-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
InChIKeyHILSVOIVEJVFOZ-UHFFFAOYSA-N
MW431.38 g/mol
LogP1.69
Rot. Bonds7

About triphenyl(4-sulfanylbutyl)phosphanium bromide

triphenyl(4-sulfanylbutyl)phosphanium bromide (PubChem CID 71353664) has the molecular formula C22H24BrPS and a molecular weight of 431.38 g/mol. Its IUPAC name is triphenyl(4-sulfanylbutyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(4-sulfanylbutyl)phosphanium bromide
PubChem CID71353664
Molecular FormulaC22H24BrPS
Molecular Weight431.38 g/mol
Exact Mass430.05
IUPAC Nametriphenyl(4-sulfanylbutyl)phosphanium bromide
SMILESSCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H23PS.BrH/c24-19-11-10-18-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
InChIKeyHILSVOIVEJVFOZ-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
4-iodobutyl(triphenyl)phosphanium
CID 16760510
4-fluorobutyl(triphenyl)phosphanium
CID 21187191
4-cyanobutyl(triphenyl)phosphanium bromide
CID 11418829
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
CID 172743171
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
hexyl(triphenyl)phosphanium
CID 2724570
5-bromopentyl(triphenyl)phosphanium
CID 53436148

Frequently Asked Questions

What is the IUPAC name of triphenyl(4-sulfanylbutyl)phosphanium bromide?
The IUPAC name of triphenyl(4-sulfanylbutyl)phosphanium bromide (CID 71353664) is triphenyl(4-sulfanylbutyl)phosphanium bromide.
What is the SMILES notation for triphenyl(4-sulfanylbutyl)phosphanium bromide?
The canonical SMILES for triphenyl(4-sulfanylbutyl)phosphanium bromide is SCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triphenyl(4-sulfanylbutyl)phosphanium bromide?
The InChIKey is HILSVOIVEJVFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23PS.BrH/c24-19-11-10-18-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H.
What are the key properties of triphenyl(4-sulfanylbutyl)phosphanium bromide?
triphenyl(4-sulfanylbutyl)phosphanium bromide has a molecular weight of 431.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(4-sulfanylbutyl)phosphanium bromide is sourced from PubChem (CID 71353664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).