dihydrogen phosphate;triphenylsulfanium

C18H17O4PS — CID 71363615

IUPACdihydrogen phosphate;triphenylsulfanium
SMILESO=P([O-])(O)O.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.H3O4P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4/h1-15H;(H3,1,2,3,4)/q+1;/p-1
InChIKeyPZUOZOGFYSVPGH-UHFFFAOYSA-M
MW360.37 g/mol
LogP3.22
Rot. Bonds3

About dihydrogen phosphate;triphenylsulfanium

dihydrogen phosphate;triphenylsulfanium (PubChem CID 71363615) has the molecular formula C18H17O4PS and a molecular weight of 360.37 g/mol. Its IUPAC name is dihydrogen phosphate;triphenylsulfanium.

Molecular Properties

Compound Namedihydrogen phosphate;triphenylsulfanium
PubChem CID71363615
Molecular FormulaC18H17O4PS
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Namedihydrogen phosphate;triphenylsulfanium
SMILESO=P([O-])(O)O.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.H3O4P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4/h1-15H;(H3,1,2,3,4)/q+1;/p-1
InChIKeyPZUOZOGFYSVPGH-UHFFFAOYSA-M
XLogP3.22
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of dihydrogen phosphate;triphenylsulfanium?
The IUPAC name of dihydrogen phosphate;triphenylsulfanium (CID 71363615) is dihydrogen phosphate;triphenylsulfanium.
What is the SMILES notation for dihydrogen phosphate;triphenylsulfanium?
The canonical SMILES for dihydrogen phosphate;triphenylsulfanium is O=P([O-])(O)O.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dihydrogen phosphate;triphenylsulfanium?
The InChIKey is PZUOZOGFYSVPGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15S.H3O4P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4/h1-15H;(H3,1,2,3,4)/q+1;/p-1.
What are the key properties of dihydrogen phosphate;triphenylsulfanium?
dihydrogen phosphate;triphenylsulfanium has a molecular weight of 360.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen phosphate;triphenylsulfanium is sourced from PubChem (CID 71363615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).