NAV

Sulfotep

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Sulfotep
DrugBank Accession Number
DB11497
Background

Not Available

Type
Small Molecule
Groups
Experimental, Vet approved
Structure
3D
Similar Structures
Weight
Average: 322.31
Monoisotopic: 322.022740088
Chemical Formula
C8H20O5P2S2
Synonyms
  • Bis(O,O-diethylphosphorothionic) anhydride
  • Dithion
  • Dithiophos
  • O,O,O,O-Tetraethyl dithiopyrophosphate
  • Sulfotepp
  • Sulphotepp
  • TEDP
  • TEDTP
  • Tetraethyl dithiopyrophosphate
  • Thiodiphosphate, tetraethyl ester
External IDs
  • Caswell No. 837
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as thiophosphoric acid esters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an organyl group.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic thiophosphoric acids and derivatives
Sub Class
Thiophosphoric acid esters
Direct Parent
Thiophosphoric acid esters
Alternative Parents
Organooxygen compounds / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Hydrocarbon derivative / Organic oxygen compound / Organooxygen compound / Thiophosphoric acid ester
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
organic thiophosphate, organothiophosphate insecticide (CHEBI:38945)
Affected organisms
Not Available

Chemical Identifiers

UNII
V41BK2EE8X
CAS number
3689-24-5
InChI Key
XIUROWKZWPIAIB-UHFFFAOYSA-N
InChI
InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
IUPAC Name
O,O-diethyl {[diethoxy(sulfanylidene)-lambda5-phosphanyl]oxy}phosphonothioate
SMILES
CCOP(=S)(OCC)OP(=S)(OCC)OCC

References

General References
Not Available
ChemSpider
18280
ChEBI
38945
ChEMBL
CHEMBL3182477
ZINC
ZINC000001693865
Wikipedia
Sulfotep

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.0288 mg/mLALOGPS
logP4.43ALOGPS
logP3.28Chemaxon
logS-4ALOGPS
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area46.15 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity78.43 m3·mol-1Chemaxon
Polarizability30.34 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dl-0079000000-ad6408181e77ed8154e9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-b0eb44788d204ff0da2a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dl-0911000000-eb8347c028c1f672ee21
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fr-0937000000-b3d44408e4a531b0d31a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-d9717b373b83d15b7749
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0159-0930000000-1e1d5f9935730ef0bbcb
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-176.0374159
predicted
DarkChem Lite v0.1.0
[M-H]-175.0153159
predicted
DarkChem Lite v0.1.0
[M-H]-153.55782
predicted
DeepCCS 1.0 (2019)
[M+H]+155.91582
predicted
DeepCCS 1.0 (2019)
[M+Na]+162.28534
predicted
DeepCCS 1.0 (2019)

Drug created at February 26, 2016 17:23 / Updated at June 12, 2020 16:53