2-triphenylphosphaniumyloxyethanethiolate

C20H19OPS — CID 134876851

IUPAC2-triphenylphosphaniumyloxyethanethiolate
SMILES[S-]CCO[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19OPS/c23-17-16-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyGPPVVPUQFOEEKT-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.46
Rot. Bonds6

About 2-triphenylphosphaniumyloxyethanethiolate

2-triphenylphosphaniumyloxyethanethiolate (PubChem CID 134876851) has the molecular formula C20H19OPS and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-triphenylphosphaniumyloxyethanethiolate.

Molecular Properties

Compound Name2-triphenylphosphaniumyloxyethanethiolate
PubChem CID134876851
Molecular FormulaC20H19OPS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name2-triphenylphosphaniumyloxyethanethiolate
SMILES[S-]CCO[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19OPS/c23-17-16-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyGPPVVPUQFOEEKT-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

ethoxy(triphenyl)phosphanium
CID 10092776
ethoxy(triphenyl)phosphanium chloride
CID 154791752
ethoxy(triphenyl)phosphanium;hydrochloride
CID 175230805
methoxy(triphenyl)phosphanium;hydrobromide
CID 174550748
triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
CID 87509247
methoxy-methyl-diphenylphosphanium
CID 23415298
methyl-phenyl-dipropoxyphosphanium
CID 69053143
ethoxy-dihydroxy-phenylphosphanium
CID 56992947
platinum;tetrakis(triphenyl(phosphanyl)phosphanium)
CID 173227828
palladium;triphenyl(sulfido)phosphanium
CID 172554124
2-aminooxyethyl(triphenyl)phosphanium
CID 88919899
2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide
CID 90424402

Frequently Asked Questions

What is the IUPAC name of 2-triphenylphosphaniumyloxyethanethiolate?
The IUPAC name of 2-triphenylphosphaniumyloxyethanethiolate (CID 134876851) is 2-triphenylphosphaniumyloxyethanethiolate.
What is the SMILES notation for 2-triphenylphosphaniumyloxyethanethiolate?
The canonical SMILES for 2-triphenylphosphaniumyloxyethanethiolate is [S-]CCO[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-triphenylphosphaniumyloxyethanethiolate?
The InChIKey is GPPVVPUQFOEEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19OPS/c23-17-16-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 2-triphenylphosphaniumyloxyethanethiolate?
2-triphenylphosphaniumyloxyethanethiolate has a molecular weight of 338.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triphenylphosphaniumyloxyethanethiolate is sourced from PubChem (CID 134876851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).