4,4'-Disulfanediyldiphenol

HCID 280665CAS 15015-57-3

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Basic information

Standard SMILES: Oc1ccc(SSc2ccc(O)cc2)cc1
InChIKey: XGKGITBBMXTKTE-UHFFFAOYSA-N
Molecular formula: C12H10O2S2
Average molar mass: 250.344 g/mol
Monoisotopic mass: 250.01222156

Names & identifiers

Preferred name: 4,4'-Disulfanediyldiphenol
IUPAC: 4,4'-Disulfanediyldiphenol
English name: 4,4′-dihydroxydiphenyl disulfide
Molecular formula: C12H10O2S2
Molecular weight: 250.34

Names & synonyms

4,4'-DisulfanediyldiphenolElastase-IN-34,4'-Dithiodiphenol4,4'-Dihydroxy diphePhenol, 4,4'-dithiobis-4,4'-DisulfandiyldiphenolBIS(4-HYDROXYPHENYL)DISULFIDE4,4'-DIHYDROXYDIPHENYLDISULPHIDE4,4'-DIHYDROXY DIPHENYL DISULFIDEBis(4-hydroxyphenyl) Disulfide >

Database identifiers

CAS: 15015-57-3
PubChem CID: 280665
DTXSID: DTXSID10299766
ChEMBL: CHEMBL558284
EC Number: 805-758-3
Nikkaji: J31.926K

Properties

Physicochemical properties

Melting point: 150 to · 150.0 to 154.0 °C
Boiling point: 437.9 · 437.9±30.0 °C(Predicted)
Density: 1.44 · 1.44±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 9.01 · 9.01±0.26(Predicted)
color: White to Light yellow
InChIKey: XGKGITBBMXTKTE-UHFFFAOYSA-N
CAS DataBase Reference: 15015 · 15015-57-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code: 2930.9 · 2930.90.2900

Safety & regulation

Safety data

hs_code: 2930.90.2900
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 1 item

UsesElastase-IN-3 (Compound 2i) is an Elastase inhibitor of Pseudomonas aeruginosa. Elastase-IN-3 inhibits the quorum sensing system of Pseudomonas aeruginosa by targeting the LasR protein (KD value of 7.04 M), thereby preventing food spoilage caused by Pseudomonas aeruginosa[1].