triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium

C20H18P2S+2 — CID 177432814

IUPACtriphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium
SMILESCC(=[P+]=S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18P2S/c1-17(21-23)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3/q+2
InChIKeyZQECSBJWKIHEKZ-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.54
Rot. Bonds4

About triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium

triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium (PubChem CID 177432814) has the molecular formula C20H18P2S+2 and a molecular weight of 352.38 g/mol. Its IUPAC name is triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium
PubChem CID177432814
Molecular FormulaC20H18P2S+2
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC Nametriphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium
SMILESCC(=[P+]=S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18P2S/c1-17(21-23)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3/q+2
InChIKeyZQECSBJWKIHEKZ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(prop-1-en-2-yl)phosphanium bromide
CID 57358625
carbamoyl(triphenyl)phosphanium
CID 174403356
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
[(E)-2-(methylamino)-1-phenylprop-1-enyl]-triphenylphosphanium
CID 10392962
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
1-ethoxyethenyl(triphenyl)phosphanium
CID 3016976
2-methylbutanoyl(triphenyl)phosphanium
CID 175177571
(1-acetamido-2,2-dichloroethenyl)-triphenylphosphanium iodide
CID 45049454
[(Z)-2-deuterio-3-oxo-1-phenylbut-1-enyl]-triphenylphosphanium
CID 23413319
triphenyl(propoxycarbonyl)phosphanium
CID 155678624
hex-1-en-2-yl(triphenyl)phosphanium
CID 10939905
(1-acetamido-3-oxo-1-phenacylsulfanyl-3-phenylprop-1-en-2-yl)-triphenylphosphanium
CID 4128962

Frequently Asked Questions

What is the IUPAC name of triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium?
The IUPAC name of triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium (CID 177432814) is triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium.
What is the SMILES notation for triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium?
The canonical SMILES for triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium is CC(=[P+]=S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium?
The InChIKey is ZQECSBJWKIHEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18P2S/c1-17(21-23)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3/q+2.
What are the key properties of triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium?
triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium has a molecular weight of 352.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(1-sulfanylidenephosphaniumylideneethyl)phosphanium is sourced from PubChem (CID 177432814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).