triphenyl(thiophen-3-ylmethyl)phosphanium bromide

C23H20BrPS — CID 11955039

IUPACtriphenyl(thiophen-3-ylmethyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](Cc2ccsc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20PS.BrH/c1-4-10-21(11-5-1)24(18-20-16-17-25-19-20,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-17,19H,18H2;1H/q+1;/p-1
InChIKeyMTFBAZIVELMCPC-UHFFFAOYSA-M
MW439.36 g/mol
LogP2.25
Rot. Bonds5

About triphenyl(thiophen-3-ylmethyl)phosphanium bromide

triphenyl(thiophen-3-ylmethyl)phosphanium bromide (PubChem CID 11955039) has the molecular formula C23H20BrPS and a molecular weight of 439.36 g/mol. Its IUPAC name is triphenyl(thiophen-3-ylmethyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(thiophen-3-ylmethyl)phosphanium bromide
PubChem CID11955039
Molecular FormulaC23H20BrPS
Molecular Weight439.36 g/mol
Exact Mass438.02
IUPAC Nametriphenyl(thiophen-3-ylmethyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](Cc2ccsc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20PS.BrH/c1-4-10-21(11-5-1)24(18-20-16-17-25-19-20,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-17,19H,18H2;1H/q+1;/p-1
InChIKeyMTFBAZIVELMCPC-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 ≤ 500439.36
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-3-ylmethyl)phosphanium bromide?
The IUPAC name of triphenyl(thiophen-3-ylmethyl)phosphanium bromide (CID 11955039) is triphenyl(thiophen-3-ylmethyl)phosphanium bromide.
What is the SMILES notation for triphenyl(thiophen-3-ylmethyl)phosphanium bromide?
The canonical SMILES for triphenyl(thiophen-3-ylmethyl)phosphanium bromide is [Br-].c1ccc([P+](Cc2ccsc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(thiophen-3-ylmethyl)phosphanium bromide?
The InChIKey is MTFBAZIVELMCPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20PS.BrH/c1-4-10-21(11-5-1)24(18-20-16-17-25-19-20,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-17,19H,18H2;1H/q+1;/p-1.
What are the key properties of triphenyl(thiophen-3-ylmethyl)phosphanium bromide?
triphenyl(thiophen-3-ylmethyl)phosphanium bromide has a molecular weight of 439.36 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-3-ylmethyl)phosphanium bromide is sourced from PubChem (CID 11955039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).