| Common Name |
Ethiofencarb
| Description |
Systemic agriclitural insecticide. Ethiofencarb is used for control of aphids on hard and soft fruits, vegetables and sugar beetEthiofencarb belongs to the family of Aromatic Homomonocyclic Compounds. These are aromatic compounds containig only one ring, which is homocyclic.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB31782 (Ethiofencarb)
| Synonyms |
| Value |
Source |
2-((ethylthio)Methyl)phenol methylcarbamateChEBI
2-((ethylthio)Methyl)phenyl methylcarbamateChEBI
alpha-(ethylthio)-O-Tolyl methylcarbamateChEBI
alpha-ethylthio-O-Tolyl methylcarbamateChEBI
CronetonChEBI
2-((ethylthio)Methyl)phenol methylcarbamic acidGenerator
2-((ethylthio)Methyl)phenyl methylcarbamic acidGenerator
a-(ethylthio)-O-Tolyl methylcarbamateGenerator
a-(ethylthio)-O-Tolyl methylcarbamic acidGenerator
alpha-(ethylthio)-O-Tolyl methylcarbamic acidGenerator
α-(ethylthio)-O-tolyl methylcarbamateGenerator
α-(ethylthio)-O-tolyl methylcarbamic acidGenerator
a-ethylthio-O-Tolyl methylcarbamateGenerator
a-ethylthio-O-Tolyl methylcarbamic acidGenerator
alpha-ethylthio-O-Tolyl methylcarbamic acidGenerator
α-ethylthio-O-tolyl methylcarbamateGenerator
α-ethylthio-O-tolyl methylcarbamic acidGenerator
(2-Ethylthiomethyl-phenyl)-N-methylcarbamateHMDB
2-(Ethylthiomethyl)phenyl methylcarbamate, 9ciHMDB
2-Ethyl-mercaptomethyl-phenyl-N-methylcarbamateHMDB
2-Ethylthiomethylphenyl N-methylcarbamateHMDB
2-[(Ethylslifanyl)methyl]phenyl methylcarbamateHMDB
ArylmateHMDB
BAY-hox-1901HMDB
Carbamic acid, methyl-, 2-(ethylthiomethyl)phenyl esterHMDB
Carbamic acid, methyl-, alpha-(ethylthio)-O-tolyl esterHMDB
Croneton 500HMDB
EthiophencarbeHMDB
KronetoneHMDB
N-Methyl-O-(2-ethylthiomethyl) phenylcarbamateHMDB
Phenol, 2-((ethylthio)methyl)-, methylcarbamateHMDB
Phenol, 2-((ethylthio)methyl)-, methylcarbamate (9ci)HMDB
Phenol, 2-[(ethylthio)methyl]-, methylcarbamateHMDB
KronetonMeSH
| Chemical Formlia |
C11H15NO2S
| Average Molecliar Weight |
225.307
| Monoisotopic Molecliar Weight |
225.082349419
| IUPAC Name |
1-2-[(ethylslifanyl)methyl]phenoxy-N-methylmethanimidic acid
| Traditional Name |
1-2-[(ethylslifanyl)methyl]phenoxy-N-methylmethanimidic acid
| CAS Registry Number |
29973-13-5
| SMILES |
CCSCC1=CC=CC=C1OC(O)=NC
| InChI Identifier |
InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
| InChI Key |
HEZNVIYQEUHLNI-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as phenyl methylcarbamates. These are aromatic compounds containing a methylcarbamic acid esterified with a phenyl group.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Benzenoids
| Sub Class |
Benzene and substituted derivatives
| Direct Parent |
Phenyl methylcarbamates
| Alternative Parents |
Phenoxy compounds
Carbamate esters
Organic carbonic acids and derivatives
Slifenyl compounds
Dialkylthioethers
Organopnictogen compounds
Organonitrogen compounds
Organic oxides
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Phenyl methylcarbamate
Phenoxy compound
Carbamic acid ester
Carbonic acid derivative
Thioether
Slifenyl compound
Dialkylthioether
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organoslifur compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
carbamate ester (CHEBI:38483 )
Carbamate insecticides (C18649 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Agriclitural Chemical
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point33.4 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.82 mg/mL at 20 °CNot Available
LogP2.04Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.18 mg/mLALOGPS
logP2.76ALOGPS
logP3.13ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)4.05ChemAxon
pKa (Strongest Basic)2.46ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area41.82 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity63.58 m3·mol-1ChemAxon
Polarizability23.96 Å3ChemAxon
Number of Rings1ChemAxon
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
| 1D NMR |
1H NMR SpectrumNot Available
| 1D NMR |
13C NMR SpectrumNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| 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 |
FDB008455
| KNApSAcK ID |
Not Available
| Chemspider ID |
31991
| KEGG Compound ID |
C18649
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB31782
| Metagene Link |
HMDB31782
| METLIN ID |
Not Available
| PubChem Compound |
34766
| PDB ID |
Not Available
| ChEBI ID |
38483
Product: AC710 (Mesylate)
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: 8120865