[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium

C29H28PS2+ — CID 54610989

IUPAC[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium
SMILESCCS/C(SC)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28PS2/c1-3-32-29(31-2)28(24-16-8-4-9-17-24)30(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3/q+1/b29-28-
InChIKeyQQGVMQYIUVEGRT-ZIADKAODSA-N
MW471.65 g/mol
LogP7.42
Rot. Bonds8

About [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium

[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium (PubChem CID 54610989) has the molecular formula C29H28PS2+ and a molecular weight of 471.65 g/mol. Its IUPAC name is [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium
PubChem CID54610989
Molecular FormulaC29H28PS2+
Molecular Weight471.65 g/mol
Exact Mass471.14
IUPAC Name[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium
SMILESCCS/C(SC)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28PS2/c1-3-32-29(31-2)28(24-16-8-4-9-17-24)30(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3/q+1/b29-28-
InChIKeyQQGVMQYIUVEGRT-ZIADKAODSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 57.42
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

[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277
[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium
CID 10392962
ethyl benzenecarbodithioate
CID 578579
[(Z)-1-benzamido-2-chloro-2-ethylsulfanylethenyl]-triphenylphosphanium;perchloric acid
CID 126957753
2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
CID 86040735
2-methylbutanoyl(triphenyl)phosphanium
CID 175177571
(E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide
CID 134988460
benzoyl(triethyl)azanium bromide
CID 12641945
[(E)-1-benzamido-2-ethylsulfanylethenyl]-triphenylphosphanium;hydroiodide
CID 126957776
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
CID 71562360
[(Z)-2-ethylsulfanyl-2-(methyldisulfanyl)ethenyl]benzene
CID 134996556
[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium
CID 23268007

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium?
The IUPAC name of [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium (CID 54610989) is [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium is CCS/C(SC)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium?
The InChIKey is QQGVMQYIUVEGRT-ZIADKAODSA-N. The full InChI is InChI=1S/C29H28PS2/c1-3-32-29(31-2)28(24-16-8-4-9-17-24)30(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3/q+1/b29-28-.
What are the key properties of [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium?
[(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium has a molecular weight of 471.65 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium is sourced from PubChem (CID 54610989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).