| Common Name |
O-Ethyl S,S-diphenyl phosphorodithioate
| Description |
Rice fungicideO-Ethyl S,S-diphenyl phosphorodithioate belongs to the family of Organophosphate Esters. These are organic compounds containing phosphoric acid ester functional group.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB31781 (O-Ethyl S,S-diphenyl phosphorodithioate)
| Synonyms |
| Value |
Source |
BAY 78418ChEBI
Bayer 78418ChEBI
EDDPChEBI
EdiphenophosChEBI
O-Ethyl-S,S-diphenyl dithiophosphateChEBI
Phosphorodithioic acid, O-ethyl-S,S-diphenyl esterChEBI
O-Ethyl S,S-diphenyl phosphorodithioic acidGenerator
O-Ethyl-S,S-diphenyl dithiophosphoric acidGenerator
Phosphorodithioate, O-ethyl-S,S-diphenyl esterGenerator
Bay-hinosanHMDB
BlastoffHMDB
Eddp (pesticide)HMDB
EdifenfosHMDB
EdifenphosHMDB
Edifenphos, bsiHMDB
EdiphenphosHMDB
HinosanHMDB
O-Aethyl-S,S-diphenyl-dithiophosphatHMDB
O-Ethyl S,S-diphenyl dithiophosphateHMDB
O-Ethyl-S,S-diphenyl phosphorodithioateHMDB
Phosphorodithioic acid, O-ethyl S,S-diphenyl esterHMDB
| Chemical Formlia |
C14H15O2PS2
| Average Molecliar Weight |
310.371
| Monoisotopic Molecliar Weight |
310.025107616
| IUPAC Name |
ethyl bis(phenylslifanyl)phosphinate
| Traditional Name |
edifenphos
| CAS Registry Number |
17109-49-8
| SMILES |
CCOP(=O)(SC1=CC=CC=C1)SC1=CC=CC=C1
| InChI Identifier |
InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
| InChI Key |
AWZOLILCOUMRDG-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Benzenoids
| Sub Class |
Benzene and substituted derivatives
| Direct Parent |
Benzene and substituted derivatives
| Alternative Parents |
Slifenyl compounds
Organothiophosphorus compounds
Organooxygen compounds
Organic oxides
Hydrocarbon derivatives
| Substituents |
Monocyclic benzene moiety
Slifenyl compound
Organothiophosphorus compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organoslifur compound
Organooxygen compound
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
organic thiophosphate (CHEBI:34735 )
Organophosphorus fungicides (C14436 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Agriclitural Chemical
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point< 25 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.056 mg/mL at 20 °CNot Available
LogP3.48Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.0094 mg/mLALOGPS
logP3.51ALOGPS
logP4.74ChemAxon
logS-4.5ALOGPS
pKa (Strongest Basic)-7.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity81.21 m3·mol-1ChemAxon
Polarizability31.39 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB008454
| KNApSAcK ID |
Not Available
| Chemspider ID |
26320
| KEGG Compound ID |
C14436
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB31781
| Metagene Link |
HMDB31781
| METLIN ID |
Not Available
| PubChem Compound |
28292
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: AC-55541
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 9409705