dimethoxy(oxo)phosphanium;triphenylsulfanium

C20H21O3PS+2 — CID 131724074

IUPACdimethoxy(oxo)phosphanium;triphenylsulfanium
SMILESCO[P+](=O)OC.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C2H6O3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6(3)5-2/h1-15H;1-2H3/q2*+1
InChIKeyZJFWTIPAUWJHEP-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.72
Rot. Bonds5

About dimethoxy(oxo)phosphanium;triphenylsulfanium

dimethoxy(oxo)phosphanium;triphenylsulfanium (PubChem CID 131724074) has the molecular formula C20H21O3PS+2 and a molecular weight of 372.43 g/mol. Its IUPAC name is dimethoxy(oxo)phosphanium;triphenylsulfanium.

Molecular Properties

Compound Namedimethoxy(oxo)phosphanium;triphenylsulfanium
PubChem CID131724074
Molecular FormulaC20H21O3PS+2
Molecular Weight372.43 g/mol
Exact Mass372.09
IUPAC Namedimethoxy(oxo)phosphanium;triphenylsulfanium
SMILESCO[P+](=O)OC.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C2H6O3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6(3)5-2/h1-15H;1-2H3/q2*+1
InChIKeyZJFWTIPAUWJHEP-UHFFFAOYSA-N
XLogP5.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphoric acid, diethyl 1-(phenylthio)vinyl ester
CID 200572
Agn-PC-0NE8OA
CID 11001867
Oxo(diphenyl)[1-(phenylsulfanyl)ethyl]-lambda~5~-phosphane
CID 12397142
Oxo(diphenyl)[1-(phenylsulfanyl)ethenyl]-lambda~5~-phosphane
CID 12793063
[Diethoxyphosphoryl(phenylsulfanyl)methyl]sulfanylbenzene
CID 10361683
S-(2-diphenylphosphanylphenyl) ethanethioate
CID 59202684
Triphenylthiophosphin
CID 69225304
Diphenyl(1-(phenylthio)butyl)phosphine oxide
CID 361772
Triphenylsulfanium hydroxide
CID 21909474
Triphenylsulfanium dihydrogen phosphate
CID 71363615
[Fluoro(hexoxy)phosphoryl]oxy-triphenyl-lambda4-sulfane
CID 141038508
1-Bis(4-methylsulfanylphenyl)phosphoryl-4-methylsulfanylbenzene
CID 5094055

Frequently Asked Questions

What is the IUPAC name of dimethoxy(oxo)phosphanium;triphenylsulfanium?
The IUPAC name of dimethoxy(oxo)phosphanium;triphenylsulfanium (CID 131724074) is dimethoxy(oxo)phosphanium;triphenylsulfanium.
What is the SMILES notation for dimethoxy(oxo)phosphanium;triphenylsulfanium?
The canonical SMILES for dimethoxy(oxo)phosphanium;triphenylsulfanium is CO[P+](=O)OC.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dimethoxy(oxo)phosphanium;triphenylsulfanium?
The InChIKey is ZJFWTIPAUWJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15S.C2H6O3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6(3)5-2/h1-15H;1-2H3/q2*+1.
What are the key properties of dimethoxy(oxo)phosphanium;triphenylsulfanium?
dimethoxy(oxo)phosphanium;triphenylsulfanium has a molecular weight of 372.43 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(oxo)phosphanium;triphenylsulfanium is sourced from PubChem (CID 131724074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).