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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:45:41 UTC
Update Date2022-03-07 02:53:08 UTC
HMDB IDHMDB0031823
Secondary Accession Numbers
  • HMDB31823
Metabolite Identification
Common NameDiphenyl disulfide
DescriptionDiphenyl disulfide belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Diphenyl disulfide is a burnt, earthy, and sulfurous tasting compound. Based on a literature review a significant number of articles have been published on Diphenyl disulfide.
Structure
Thumb
Synonyms
Chemical FormulaC12H10S2
Average Molecular Weight218.338
Monoisotopic Molecular Weight218.0223917
IUPAC Name(phenyldisulfanyl)benzene
Traditional Namediphenyl disulfide
CAS Registry Number882-33-7
SMILES
S(SC1=CC=CC=C1)C1=CC=CC=C1
InChI Identifier
InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChI KeyGUUVPOWQJOLRAS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassNot Available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Substituents
  • Monocyclic benzene moiety
  • Organic disulfide
  • Sulfenyl compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point62 - 63 °CNot Available
Boiling Point310.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility6.02 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP4.41Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008501
KNApSAcK IDNot Available
Chemspider ID12861
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDiphenyl disulfide
METLIN IDNot Available
PubChem Compound13436
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1021211
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .