triphenyl(phenylsulfanylmethyl)phosphanium chloride

C25H22ClPS — CID 11080318

IUPACtriphenyl(phenylsulfanylmethyl)phosphanium chloride
SMILES[Cl-].c1ccc(SC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22PS.ClH/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-27-25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
InChIKeyOAUXBAZCEXSXGL-UHFFFAOYSA-M
MW420.95 g/mol
LogP2.73
Rot. Bonds6

About triphenyl(phenylsulfanylmethyl)phosphanium chloride

triphenyl(phenylsulfanylmethyl)phosphanium chloride (PubChem CID 11080318) has the molecular formula C25H22ClPS and a molecular weight of 420.95 g/mol. Its IUPAC name is triphenyl(phenylsulfanylmethyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl(phenylsulfanylmethyl)phosphanium chloride
PubChem CID11080318
Molecular FormulaC25H22ClPS
Molecular Weight420.95 g/mol
Exact Mass420.09
IUPAC Nametriphenyl(phenylsulfanylmethyl)phosphanium chloride
SMILES[Cl-].c1ccc(SC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22PS.ClH/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-27-25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
InChIKeyOAUXBAZCEXSXGL-UHFFFAOYSA-M
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(phenylsulfanylmethyl)phosphanium chloride?
The IUPAC name of triphenyl(phenylsulfanylmethyl)phosphanium chloride (CID 11080318) is triphenyl(phenylsulfanylmethyl)phosphanium chloride.
What is the SMILES notation for triphenyl(phenylsulfanylmethyl)phosphanium chloride?
The canonical SMILES for triphenyl(phenylsulfanylmethyl)phosphanium chloride is [Cl-].c1ccc(SC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(phenylsulfanylmethyl)phosphanium chloride?
The InChIKey is OAUXBAZCEXSXGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22PS.ClH/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-27-25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1.
What are the key properties of triphenyl(phenylsulfanylmethyl)phosphanium chloride?
triphenyl(phenylsulfanylmethyl)phosphanium chloride has a molecular weight of 420.95 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(phenylsulfanylmethyl)phosphanium chloride is sourced from PubChem (CID 11080318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).