2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide

C24H26BrPS2 — CID 86040735

IUPAC2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
SMILESCCSC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)SCC.[Br-]
InChIInChI=1S/C24H26PS2.BrH/c1-3-26-24(27-4-2)20-25(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23;/h5-20H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyZVVGYMRQRLAGTK-UHFFFAOYSA-M
MW489.48 g/mol
LogP3.29
Rot. Bonds8

About 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide

2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide (PubChem CID 86040735) has the molecular formula C24H26BrPS2 and a molecular weight of 489.48 g/mol. Its IUPAC name is 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
PubChem CID86040735
Molecular FormulaC24H26BrPS2
Molecular Weight489.48 g/mol
Exact Mass488.04
IUPAC Name2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
SMILESCCSC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)SCC.[Br-]
InChIInChI=1S/C24H26PS2.BrH/c1-3-26-24(27-4-2)20-25(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23;/h5-20H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyZVVGYMRQRLAGTK-UHFFFAOYSA-M
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methylselanyl-1-triphenylphosphaniumylprop-1-en-2-olate
CID 12642931
[(Z)-2-hydroxy-3-methylhex-1-enyl]-triphenylphosphanium
CID 177488102
1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene
CID 10646512
[(Z)-2-hydroxy-4-oxo-4-propan-2-yloxybut-1-enyl]-triphenylphosphanium
CID 10644910
[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium
CID 170905252
[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium
CID 101071939
[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene
CID 134996556
[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium
CID 54610989
[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium
CID 11786312
ethyl benzenecarbodithioate
CID 578579
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
carbanide;(3-ethyl-4-oxopent-1-enyl)-triphenylphosphanium
CID 162289350

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide?
The IUPAC name of 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide (CID 86040735) is 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide.
What is the SMILES notation for 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide?
The canonical SMILES for 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide is CCSC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)SCC.[Br-].
What is the InChIKey of 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide?
The InChIKey is ZVVGYMRQRLAGTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26PS2.BrH/c1-3-26-24(27-4-2)20-25(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23;/h5-20H,3-4H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide?
2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide has a molecular weight of 489.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide is sourced from PubChem (CID 86040735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).