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Bis(phenylsulfonyl) disulphide

HCID 80066
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Basic information

CAS
5962-55-0
Standard SMILES
O=S(=O)(SSS(=O)(=O)c1ccccc1)c1ccccc1
InChIKey
LTWQZHNNDVAERL-UHFFFAOYSA-N
Molecular formula
C12H10O4S4
Average molar mass
346.5 g/mol
Monoisotopic mass
345.94619349

Names & identifiers

Preferred name
Bis(phenylsulfonyl) disulphide
IUPAC
(benzenesulfonyldisulfanyl)sulfonylbenzene
English name
bis(phenylsulphonyl) disulphide
Molecular formula
C12H10O4S4
Molecular weight
346.47

Names & synonyms

Disulfide, bis(phenylsulfonyl)(benzenesulfonyldisulfanyl)sulfonylbenzeneJ5D2FMS3RQBis(phenylsulfonyl) disulphideNSC-85601RefChem:5692565962-55-0Benzenesulfonyl disulfideBis(phenylsulphonyl) disulphideNSC85601EINECS 227-739-3NSC 85601
Show more names
Bis(phenylsulfonyl) persulfide
UNII-J5D2FMS3RQNCIOpen2_009452SCHEMBL11323690DTXSID90208295LTWQZHNNDVAERL-UHFFFAOYSA-NDB-243165NS000474631,4-Diphenyltetrasulfane 1,1,4,4-tetraoxide

Database identifiers

CAS
5962-55-0
PubChem CID
80066
DTXSID
DTXSID90208295
UNII
J5D2FMS3RQ
EC Number
227-739-3
Nikkaji
J223.913B

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
136 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
441

Physicochemical properties

Boiling point
543.7 · 543.7±33.0 °C(Predicted)
Density
1.514 · 1.514±0.06 g/cm3(Predicted)
FDA UNII
5 D2FMS3RQ · J5D2FMS3RQ

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: Disulfide, bis(phenylsulfonyl)

Related reactions

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Compound notes

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