Pentasulfide-Sulfur
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Identification
- Generic Name
- Pentasulfide-Sulfur
- DrugBank Accession Number
- DB02956
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 160.325
Monoisotopic: 159.86035345 - Chemical Formula
- S5
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism USulfide dehydrogenase Not Available Wolinella succinogenes - 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
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of inorganic compounds known as other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals.
- Kingdom
- Inorganic compounds
- Super Class
- Homogeneous non-metal compounds
- Class
- Other non-metal organides
- Sub Class
- Other non-metal sulfides
- Direct Parent
- Other non-metal sulfides
- Alternative Parents
- Inorganic sulfides
- Substituents
- Inorganic sulfide / Other non-metal sulfide
- Molecular Framework
- Not Available
- External Descriptors
- pentaatomic sulfur (CHEBI:45147)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- FBNHIFPJXGPDIP-UHFFFAOYSA-L
- InChI
- InChI=1S/H2S5/c1-3-5-4-2/h1-2H/p-2
- IUPAC Name
- pentasulfane-1,5-diide
- SMILES
- [S-]SSS[S-]
References
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 2.83 Chemaxon pKa (Strongest Acidic) 8.82 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 36.14 m3·mol-1 Chemaxon Polarizability 13.31 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.8949 Blood Brain Barrier + 0.9781 Caco-2 permeable + 0.5793 P-glycoprotein substrate Non-substrate 0.8857 P-glycoprotein inhibitor I Non-inhibitor 0.9765 P-glycoprotein inhibitor II Non-inhibitor 0.9966 Renal organic cation transporter Non-inhibitor 0.9326 CYP450 2C9 substrate Non-substrate 0.8282 CYP450 2D6 substrate Non-substrate 0.83 CYP450 3A4 substrate Non-substrate 0.792 CYP450 1A2 substrate Non-inhibitor 0.7542 CYP450 2C9 inhibitor Non-inhibitor 0.7529 CYP450 2D6 inhibitor Non-inhibitor 0.9029 CYP450 2C19 inhibitor Non-inhibitor 0.8292 CYP450 3A4 inhibitor Non-inhibitor 0.97 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.7773 Ames test Non AMES toxic 0.844 Carcinogenicity Carcinogens 0.6428 Biodegradation Ready biodegradable 0.7299 Rat acute toxicity 2.7186 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9176 hERG inhibition (predictor II) Non-inhibitor 0.9616
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 119.63336 predictedDeepCCS 1.0 (2019) [M+H]+ 121.64909 predictedDeepCCS 1.0 (2019) [M+Na]+ 129.86378 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsSulfide dehydrogenase
- Kind
- Protein
- Organism
- Wolinella succinogenes
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- sud
- Uniprot ID
- Q56748
- Uniprot Name
- Sulfide dehydrogenase
- Molecular Weight
- 16391.98 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52