Dibenzyl sulfoxide - CAS 621-08-9
Catalog: |
BB031419 |
Product Name: |
Dibenzyl sulfoxide |
CAS: |
621-08-9 |
Synonyms: |
Benzene, 1,1'-[sulfinylbis(methylene)]bis-; 1,1'-[Sulfinylbis(methylene)]bis[benzene]; Benzyl sulfoxide; Bis(phenylmethyl) sulfoxide; NSC 55; Tardiol D; (Sulfinylbis(methylene))dibenzene |
Related CAS: | 56573-82-1 (Deleted CAS)
|
IUPAC Name: | benzylsulfinylmethylbenzene |
Molecular Weight: | 230.33 |
Molecular Formula: | C14H14OS |
Canonical SMILES: | C1=CC=C(C=C1)CS(=O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
InChI Key: | HTMQZWFSTJVJEQ-UHFFFAOYSA-N |
Boiling Point: | 443.5±34.0°C at 760 mmHg |
Melting Point: | 134°C |
Purity: | ≥95% |
Density: | 1.196±0.06 g/cm3 |
Appearance: | Light yellow hygroscopic powder |
MDL: | MFCD00004782 |
LogP: | 4.00120 |
Vapor Pressure: | 0.00000653 [mmHg] |
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PMID | Publication Date | Title | Journal |
22020274 | 20120117 | Characterisation, solubility and intrinsic dissolution behaviour of benzamide: dibenzyl sulfoxide cocrystal | International journal of pharmaceutics |
21754572 | 20110601 | Tetra-chloridobis(dibenzyl sulfoxide-κO)tin(IV) | Acta crystallographica. Section E, Structure reports online |
21522682 | 20101218 | Dibenzyl sulfoxide | Acta crystallographica. Section E, Structure reports online |
20836557 | 20101014 | Discovery of small molecule inhibitors of the PH domain leucine-rich repeat protein phosphatase (PHLPP) by chemical and virtual screening | Journal of medicinal chemistry |
16043059 | 20050901 | Synthesis and spectroscopic behavior of highly luminescent Eu(3+)-dibenzoylmethanate (DBM) complexes with sulfoxide ligands | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.07653624 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.07653624 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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