Folpet (CHEM002814)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (8)XML
Record Information
Version1.0
Creation Date2013-04-25 07:56:52 UTC
Update Date2026-03-27 00:23:01 UTC
Accession NumberCHEM002814
Identification
Common NameFolpet
ClassSmall Molecule
DescriptionFolpet is a protective leaf-fungicide. Its mode of action inhibits normal cell division of a broad spectrum of microorganisms. It is used to control cherry leaf spot, rose mildew, rose black spot, and apple scab. Used on berries, flowers, ornamentals, fruits and vegetables, and for seed- and plant-bed treatment. Also used as a fungicide in paints and plastics, and for treatment of internal and external structural surfaces of buildings. Folpet has low acute toxicity to mammals. It is slighly toxic to birds and bees, and is moderately toxic to fish, aquatic invertebrates, algae and earthworms. Folpet is very irritating to the eyes and repeated or prolonged contact leads to skin sensitization. Chronic exposure tests showed folpet to be carcinogenic in mice (but not rats). On this basis, folpet is considered possibly carcinogenic to humans.
Contaminant Sources
  • Clean Air Act Chemicals
  • EPA Endocrine Screening
  • FooDB Chemicals
  • HPV EPA Chemicals
  • My Exposome Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Amide
  • Amine
  • Ester
  • Food Toxin
  • Fungicide
  • Lachrymator
  • Metabolite
  • Organic Compound
  • Organochloride
  • Pesticide
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
AcryptanChEBI
Cosan IChEBI
FaltanChEBI
FaltexChEBI
FolpelChEBI
N-(Trichlor-methylthio)-phthalamidChEBI
N-(Trichloromethanesulfenyl)phthalimideChEBI
N-(Trichloromethanesulphenyl)phthalimideChEBI
N-(Trichloromethylthio)phthalimideChEBI
OrthophaltanChEBI
PhthaltanChEBI
TrichloromethylthiophthalimideChEBI
2-(Trichloromethylsulphanyl)isoindole-1,3-dioneHMDB
2-((Trichloromethyl)thio)-1H-isoindole-1,3(2H)-dioneHMDB
2-[(Trichloromethyl)sulfanyl]-1H-isoindole-1,3(2H)-dioneHMDB
2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dioneHMDB
2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione, 9ciHMDB
Cosan THMDB
DiutridHMDB
FolnitHMDB
FolpanHMDB
FolpexHMDB
FtalanHMDB
FungitrolHMDB
Fungitrol 11HMDB
Fungitrol IIHMDB
Intercide TMPHMDB
Murphy'S rose fungicideHMDB
N-((Trichloromethyl)thio)-phthalimideHMDB
N-(Trichlormethylthio)phthalimideHMDB
N-(Trichloromethyl)thiophthalimideHMDB
N-(Trichloromethylmercapto)phthalimideHMDB
N-[(Trichloromethyl)thio]-phthalimideHMDB
N-[(Trichloromethyl)thio]phthalimideHMDB
Ortho phaltan 50WHMDB
PhaltanHMDB
PhaltaneHMDB
PhaltonHMDB
PhthalanHMDB
Phthalic acid,imide,N-trichloromethyl sulfenylHMDB
SpolacidHMDB
ThiophalHMDB
Trichlormethylthioimid kyseliny ftaloveHMDB
Trichloromethyl(thio)phthalimideHMDB
TrifolHMDB
Troysan anti-mildew OHMDB
VinicollHMDB
FolpetHMDB
Chemical FormulaC9H4Cl3NO2S
Average Molecular Mass296.558 g/mol
Monoisotopic Mass294.903 g/mol
CAS Registry Number133-07-3
IUPAC Name2-[(trichloromethyl)sulfanyl]-2,3-dihydro-1H-isoindole-1,3-dione
Traditional Namefolpet
SMILESClC(Cl)(Cl)SN1C(=O)C2=CC=CC=C2C1=O
InChI IdentifierInChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
InChI KeyHKIOYBQGHSTUDB-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIsoindoles and derivatives
Sub ClassIsoindolines
Direct ParentPhthalimides
Alternative Parents
Substituents
  • Phthalimide
  • Isoindole
  • Benzenoid
  • Trihalomethane
  • Carboxylic acid derivative
  • Sulfenyl compound
  • Azacycle
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alkyl halide
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organic nitrogen compound
  • Alkyl chloride
  • Halomethane
  • Organopnictogen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point177°C
Boiling PointNot Available
Solubility0.0008 mg/mL at 25°C
Predicted Properties
PropertyValueSource
Water Solubility0.0068 g/LALOGPS
logP2.92ALOGPS
logP3.78ChemAxon
logS-4.6ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area37.38 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity66.59 m³·mol⁻¹ChemAxon
Polarizability25.04 ųChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-2970000000-ce3d024021bb47b3e92eSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0090000000-603864eafce4a511f45aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0090000000-7af6ec761aecf753cd39Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-4190000000-3591d051eee991ced479Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0090000000-0b57ab4a82c78d652d41Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0090000000-0b57ab4a82c78d652d41Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udl-0790000000-a732d6b345e46ae2a4d1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0090000000-d7eb720fc3b923375bd6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0090000000-d7eb720fc3b923375bd6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0090000000-d7eb720fc3b923375bd6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0090000000-54ee2d84e6cf77e97b69Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0090000000-54ee2d84e6cf77e97b69Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0900-4920000000-ec2cca1807a1023e19ecSpectrum
MSMass Spectrum (Electron Ionization)splash10-0ik9-7890000000-a8d2179fab1f35de18faSpectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
1D NMR13C NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not listed by IARC.
Uses/SourcesThis is a man-made compound that is used as a pesticide.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0031792
FooDB IDFDB008465
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkFolpet
Chemspider ID8288
ChEBI ID82019
PubChem Compound ID8607
Kegg Compound IDC18860
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=10725173
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=12909534
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=20569196
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=21381057
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=21381058
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=22180346
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=3771451
8. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.