4,4'-Dithiodimorpholine (CHEM017227)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (25)XML
Record Information
Version1.0
Creation Date2016-05-22 04:02:41 UTC
Update Date2026-08-24 16:59:06 UTC
Accession NumberCHEM017227
Identification
Common Name4,4'-Dithiodimorpholine
ClassSmall Molecule
Description4,4'-Dithiodimorpholine is an organic compound with the chemical formula C8H16N2O2S2 and an average molecular weight of 236.35 g/mol. 4,4'-Dithiodimorpholine belongs to the morpholines, a subclass of oxazinanes within the organic compounds. Industrially, this substance is utilized as a chemical reaction regulator and as a processing aid not otherwise specified. The compound is identified in 12 recorded sources across several sectors. In the electrical and electronic equipment sector, it is found in antennas, communication cables or conductors, electrodes, fixed capacitors and their manufacture, as well as conductors or conductive bodies characterised by the conductive materials. Within the building and construction sector, it is associated with ladders, tents or canopies. It is also recorded in the food, food processing and cookware sector, specifically regarding food preservation and the processing of meats. Additionally, the compound is found in drinking water and water supply. The recorded exposure route for this substance is oral.
Contaminant Sources
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
4-(Morpholin-4-yldisulphanyl)morpholineGenerator
N,N'-dithiodimorpholineMeSH
Sulfasan RMeSH
4,4'-DithiodimorpholineMeSH
Chemical FormulaC8H16N2O2S2
Average Molecular Mass236.350 g/mol
Monoisotopic Mass236.065 g/mol
CAS Registry Number103-34-4
IUPAC Name4-(morpholin-4-yldisulfanyl)morpholine
Traditional Namemorpholine, 4,4'-dithiobis-
SMILESC1CN(CCO1)SSN1CCOCC1
InChI IdentifierInChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2
InChI KeyHLBZWYXLQJQBKU-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassOxazinanes
Sub ClassMorpholines
Direct ParentMorpholines
Alternative Parents
Substituents
  • Morpholine
  • Oxacycle
  • Azacycle
  • Ether
  • Dialkyl ether
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility54.1 g/LALOGPS
logP0.51ALOGPS
logP0.05ChemAxon
logS-0.64ALOGPS
pKa (Strongest Basic)1.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area24.94 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity57.45 m³·mol⁻¹ChemAxon
Polarizability24.4 ųChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-3390000000-282c3b18058d7534a31aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00kr-4940000000-9726a99fe302702fc6e9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052u-9100000000-de4acdadaa9f41d43c69Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-1490000000-a67082f62d891f68dc57Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014r-1940000000-ead46ab356c5b31bd842Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000f-9400000000-4bf454119cb24f20a123Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID7648
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available