Bis(phenylacetyl) disulfide - CAS 15088-78-5

Name: Bis(phenylacetyl) disulfide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010586
Product Name:	Bis(phenylacetyl) disulfide
CAS:	15088-78-5
Synonyms:	S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate

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Computed Properties

IUPAC Name:	S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate
Description:	Phenylacetyl disulfide (CAS# 15088-78-5) is a useful research chemical.
Molecular Weight:	302.41
Molecular Formula:	C16H14O2S2
Canonical SMILES:	C1=CC=C(C=C1)CC(=O)SSC(=O)CC2=CC=CC=C2
InChI:	InChI=1S/C16H14O2S2/c17-15(11-13-7-3-1-4-8-13)19-20-16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:	IXGZXXBJSZISOO-UHFFFAOYSA-N
Boiling Point:	481.1 °C at 760 mmHg
Purity:	98.0%
Density:	1.269 g/cm³
MDL:	MFCD00513572
LogP:	3.90640

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Related Functional Groups

Sulfur Compounds

[518012-62-9]C14H22O6S
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]C10H8O3S
1-Naphthalenesulfonic acid
[71996-48-0]C14H14O2S
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]C2H7NO3S
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]C13H14N6OS
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021108291-A1	Synthesis of 3'-rna oligonucleotides	20191127
JP-2021080183-A	New lysophosphatidic acid derivative	20191114
WO-2021075538-A1	Method for producing bicyclic phosphoramidite	20191018
WO-2021049504-A1	Galnac-oligonucleotide conjugate for liver-targeted delivery use, and method for producing same	20190910
WO-2021030867-A1	Method of modulating adiposity	20190819

PMID	Publication Date	Title	Journal
21902473	20110901	Sulfurization of dinucleoside phosphite triesters with chiral disulfides	Nucleosides, nucleotides & nucleic acids
17365796	20070101	An alternative advantageous protocol for efficient synthesis of phosphorothioate oligonucleotides utilizing phenylacetyl disulfide (PADS)	Nucleosides, nucleotides & nucleic acids
16481168	20060501	Development of siRNA for therapeutics: efficient synthesis of phosphorothioate RNA utilizing phenylacetyl disulfide (PADS)	Bioorganic & medicinal chemistry letters
12885126	20030401	Solid phase synthesis of phosphorothioate oligonucleotides utilizing diethyldithiocarbonate disulfide (DDD) as an efficient sulfur transfer reagent	Nucleosides, nucleotides & nucleic acids

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.04352203
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	302.04352203
Rotatable Bond Count:	7
Topological Polar Surface Area:	84.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7