This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Dixanthogen
- DrugBank Accession Number
- DB13712
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Dixanthogen (DB13712)
- Weight
- Average: 242.38
Monoisotopic: 241.956364258 - Chemical Formula
- C6H10O2S4
- Synonyms
- Dixanthogen
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- ATC Codes
- P03AA01 — Dixanthogen
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as organic disulfides. These are organosulfur compounds with the general formula RSSR' (R,R' = alkyl, aryl).
- Kingdom
- Organic compounds
- Super Class
- Organosulfur compounds
- Class
- Organic disulfides
- Sub Class
- Not Available
- Direct Parent
- Organic disulfides
- Alternative Parents
- Sulfenyl compounds / Organooxygen compounds / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Hydrocarbon derivative / Organic disulfide / Organic oxygen compound / Organooxygen compound / Sulfenyl compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- thiocarbonyl compound (CHEBI:82241)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- RN4CQ46FDM
- CAS number
- 502-55-6
- InChI Key
- FVIGODVHAVLZOO-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3
- IUPAC Name
- ethoxy[(ethoxymethanethioyl)disulfanyl]methanethione
- SMILES
- CCOC(=S)SSC(=S)OCC
References
- General References
- Not Available
- External Links
- KEGG Compound
- C19120
- ChemSpider
- 9975
- ChEBI
- 82241
- ChEMBL
- CHEMBL331743
- ZINC
- ZINC000001595003
- Wikipedia
- Dixanthogen
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0108 mg/mL ALOGPS logP 3.04 ALOGPS logP 4.46 Chemaxon logS -4.4 ALOGPS pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 18.46 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 65.04 m3·mol-1 Chemaxon Polarizability 23.19 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0910000000-e20e10b54a18d1970e8b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-9000000000-20514b0858209b872d77 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-4900000000-a714205e16d8251c001d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03dr-9000000000-1e803ce8c4fbf27dfb63 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03mi-9400000000-467b1baaa1d62738daff Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-9000000000-ba0cbe1a3b098389c064 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 159.6112099 predictedDarkChem Lite v0.1.0 [M-H]- 159.7836099 predictedDarkChem Lite v0.1.0 [M-H]- 140.55367 predictedDeepCCS 1.0 (2019) [M+H]+ 159.8892099 predictedDarkChem Lite v0.1.0 [M+H]+ 160.4711099 predictedDarkChem Lite v0.1.0 [M+H]+ 143.15123 predictedDeepCCS 1.0 (2019) [M+Na]+ 160.1272099 predictedDarkChem Lite v0.1.0 [M+Na]+ 160.0128099 predictedDarkChem Lite v0.1.0 [M+Na]+ 152.3255 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54