4-diphenylphosphanylbenzenesulfinic acid

C18H15O2PS — CID 164930130

IUPAC4-diphenylphosphanylbenzenesulfinic acid
SMILESO=S(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15O2PS/c19-22(20)18-13-11-17(12-14-18)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H,19,20)
InChIKeyVJEBKYPGFFKLIO-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.03
Rot. Bonds4

About 4-diphenylphosphanylbenzenesulfinic acid

4-diphenylphosphanylbenzenesulfinic acid (PubChem CID 164930130) has the molecular formula C18H15O2PS and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-diphenylphosphanylbenzenesulfinic acid.

Molecular Properties

Compound Name4-diphenylphosphanylbenzenesulfinic acid
PubChem CID164930130
Molecular FormulaC18H15O2PS
Molecular Weight326.36 g/mol
Exact Mass326.05
IUPAC Name4-diphenylphosphanylbenzenesulfinic acid
SMILESO=S(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15O2PS/c19-22(20)18-13-11-17(12-14-18)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H,19,20)
InChIKeyVJEBKYPGFFKLIO-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.03
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 4-diphenylphosphanylbenzenesulfinic acid?
The IUPAC name of 4-diphenylphosphanylbenzenesulfinic acid (CID 164930130) is 4-diphenylphosphanylbenzenesulfinic acid.
What is the SMILES notation for 4-diphenylphosphanylbenzenesulfinic acid?
The canonical SMILES for 4-diphenylphosphanylbenzenesulfinic acid is O=S(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphanylbenzenesulfinic acid?
The InChIKey is VJEBKYPGFFKLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O2PS/c19-22(20)18-13-11-17(12-14-18)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H,19,20).
What are the key properties of 4-diphenylphosphanylbenzenesulfinic acid?
4-diphenylphosphanylbenzenesulfinic acid has a molecular weight of 326.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphanylbenzenesulfinic acid is sourced from PubChem (CID 164930130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).