triphenyl(thiophen-2-ylmethyl)phosphanium chloride

C23H20ClPS — CID 11574767

IUPACtriphenyl(thiophen-2-ylmethyl)phosphanium chloride
SMILES[Cl-].c1ccc([P+](Cc2cccs2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20PS.ClH/c1-4-11-20(12-5-1)24(19-23-17-10-18-25-23,21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyNPMHPUVPHLQJSP-UHFFFAOYSA-M
MW394.91 g/mol
LogP2.25
Rot. Bonds5

About triphenyl(thiophen-2-ylmethyl)phosphanium chloride

triphenyl(thiophen-2-ylmethyl)phosphanium chloride (PubChem CID 11574767) has the molecular formula C23H20ClPS and a molecular weight of 394.91 g/mol. Its IUPAC name is triphenyl(thiophen-2-ylmethyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl(thiophen-2-ylmethyl)phosphanium chloride
PubChem CID11574767
Molecular FormulaC23H20ClPS
Molecular Weight394.91 g/mol
Exact Mass394.07
IUPAC Nametriphenyl(thiophen-2-ylmethyl)phosphanium chloride
SMILES[Cl-].c1ccc([P+](Cc2cccs2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20PS.ClH/c1-4-11-20(12-5-1)24(19-23-17-10-18-25-23,21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1-18H,19H2;1H/q+1;/p-1
InChIKeyNPMHPUVPHLQJSP-UHFFFAOYSA-M
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 52.25
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(thiophen-2-ylmethyl)phosphanium chloride?
The IUPAC name of triphenyl(thiophen-2-ylmethyl)phosphanium chloride (CID 11574767) is triphenyl(thiophen-2-ylmethyl)phosphanium chloride.
What is the SMILES notation for triphenyl(thiophen-2-ylmethyl)phosphanium chloride?
The canonical SMILES for triphenyl(thiophen-2-ylmethyl)phosphanium chloride is [Cl-].c1ccc([P+](Cc2cccs2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(thiophen-2-ylmethyl)phosphanium chloride?
The InChIKey is NPMHPUVPHLQJSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20PS.ClH/c1-4-11-20(12-5-1)24(19-23-17-10-18-25-23,21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1-18H,19H2;1H/q+1;/p-1.
What are the key properties of triphenyl(thiophen-2-ylmethyl)phosphanium chloride?
triphenyl(thiophen-2-ylmethyl)phosphanium chloride has a molecular weight of 394.91 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(thiophen-2-ylmethyl)phosphanium chloride is sourced from PubChem (CID 11574767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).