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Belleau's Reagent

CAT: 0926-FB61290-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FB61290-01Size:5 g
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CAS Number
88816-02-8
Synonyms
2,4-Bis (4-phenoxyphenyl) -1,3-dithia-2,4-diphosphetane 2,4-Disulfide
MDL Number
MFCD00191383
Molecular Formula
C24H18O2P2S4
Molecular Weight
528.61 g/mol
Controlled
No

Chemical Information

2,4-Bis(4-phenoxyphenyl)-2,4-dithioxo-1,3,2,4-dithiadiphosphetane
CAS Number88816-02-8
PubChem CID11813414
IUPAC Name2,4-bis(4-phenoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
Molecular FormulaC24H18O2P2S4
Molecular Weight528.6
XLogP9.2
Topological Polar Surface Area133
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity631
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)P3(=S)SP(=S)(S3)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C24H18O2P2S4/c29-27(23-15-11-21(12-16-23)25-19-7-3-1-4-8-19)31-28(30,32-27)24-17-13-22(14-18-24)26-20-9-5-2-6-10-20/h1-18H
InChIKey
BFIWQSSAMKDRRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Bis(4-phenoxyphenyl)-2,4-dithioxo-1,3,2,4-dithiadiphosphetane
CAS: 88816-02-8
CID: 11813414
Formula: C24H18O2P2S4
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass527.96648850
Monoisotopic Mass527.96648850
Topological Polar Surface Area133 Ų
Heavy Atom Count32
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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