Record Information
Version1.0
Creation Date2013-04-25 07:56:52 UTC
Update Date2016-11-09 01:08:59 UTC
Accession NumberCHEM002833
Identification
Common NameMancozeb
ClassSmall Molecule
DescriptionMancozeb is registered as a general use fungicide that is a member of the chemical class known as ethylene bisdithiocarbamates (EBDCs). The EBDCs are fungicides used to prevent crop damage in the field and to protect harvested crops from deterioration in storage or transport. Mancozeb is used to protect many fruit, vegetable, nut and field crops against a wide spectrum of diseases, including potato blight, leaf spot, scab (on apples and pears) and rust (on roses). It is also used for seed treatment of cotton, potatoes, corn, safflower, sorghum, peanuts, tomatoes, flax and cereal grains
Contaminant Sources
  • HPV EPA Chemicals
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Fungicide
  • Household Toxin
  • Pesticide
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
ValueSource
Ethylenebisdithiocarbamate manganese-zincMeSH
Chemical FormulaC8H12MnN4S8Zn
Average Molecular Mass541.075 g/mol
Monoisotopic Mass538.750 g/mol
CAS Registry Number8018-01-07
IUPAC Namemanganese(2+) ion zinc(2+) ion bis(({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide)
Traditional Namemanganese(2+) ion zinc(2+) ion bis(({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide)
SMILES[Mn++].[Zn++].[S-]C(=S)NCCNC([S-])=S.[S-]C(=S)NCCNC([S-])=S
InChI IdentifierInChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4
InChI KeyCHNQZRKUZPNOOH-UHFFFAOYSA-J
Chemical Taxonomy
Description belongs to the class of organic compounds known as ethylene bisdithiocarbamates. These are dithiocarbamic acids (or derivatives) resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. In addition, compounds containing a 1,2-ethanediyl carbamodithioate moiety are also members of this class.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassDithiocarbamic acids and derivatives
Sub ClassDithiocarbamic acid esters
Direct ParentEthylene bisdithiocarbamates
Alternative Parents
Substituents
  • Ethylene bisdithiocarbamate
  • Metallobisdithiocarbamate
  • Organic transition metal salt
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic salt
  • Organosulfur compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
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 PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0072 g/LALOGPS
logP1.93ALOGPS
logP1.97ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)1.74ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area24.06 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity60.76 m³·mol⁻¹ChemAxon
Polarizability20.94 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (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 IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkMancozeb
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID91570
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available