triphenyl(1-sulfinoethenyl)phosphanium

C20H18O2PS+ — CID 174945086

IUPACtriphenyl(1-sulfinoethenyl)phosphanium
SMILESC=C(S(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O2PS/c1-17(24(21)22)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H2/p+1
InChIKeyPZUABGZDMRWUAU-UHFFFAOYSA-O
MW353.40 g/mol
LogP3.67
Rot. Bonds5

About triphenyl(1-sulfinoethenyl)phosphanium

triphenyl(1-sulfinoethenyl)phosphanium (PubChem CID 174945086) has the molecular formula C20H18O2PS+ and a molecular weight of 353.40 g/mol. Its IUPAC name is triphenyl(1-sulfinoethenyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(1-sulfinoethenyl)phosphanium
PubChem CID174945086
Molecular FormulaC20H18O2PS+
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Nametriphenyl(1-sulfinoethenyl)phosphanium
SMILESC=C(S(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O2PS/c1-17(24(21)22)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H2/p+1
InChIKeyPZUABGZDMRWUAU-UHFFFAOYSA-O
XLogP3.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(1-sulfinoethenyl)phosphanium?
The IUPAC name of triphenyl(1-sulfinoethenyl)phosphanium (CID 174945086) is triphenyl(1-sulfinoethenyl)phosphanium.
What is the SMILES notation for triphenyl(1-sulfinoethenyl)phosphanium?
The canonical SMILES for triphenyl(1-sulfinoethenyl)phosphanium is C=C(S(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(1-sulfinoethenyl)phosphanium?
The InChIKey is PZUABGZDMRWUAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17O2PS/c1-17(24(21)22)23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H2/p+1.
What are the key properties of triphenyl(1-sulfinoethenyl)phosphanium?
triphenyl(1-sulfinoethenyl)phosphanium has a molecular weight of 353.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(1-sulfinoethenyl)phosphanium is sourced from PubChem (CID 174945086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).