Dazomet (CHEM002783)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (13)XML
Record Information
Version1.0
Creation Date2013-04-25 07:56:50 UTC
Update Date2016-11-09 01:08:58 UTC
Accession NumberCHEM002783
Identification
Common NameDazomet
ClassSmall Molecule
DescriptionDazomet is a common soil fumigant that acts as a herbicide, fungicide, and nematicide. Dazomet is used as a soil sterilant on a variety of sites such as golf courses, nurseries, turf sites, and potting soils.[2] Dazomet is used for soil sterilization as an alternative to methyl bromide. Although less effective it is still used to kill pests because of its comparatively lower toxicity. Dazomet is applied to wet soil, which causes dazomet itself to decompose into a gaseous form, which is what actively controls pests. The decomposition of dazomet releases methyl isothiocyanate (MITC) a gas toxic to pests that would prevent or kill plant growth. Dazomet is irritating to the eyes and its degradation product, MITC, is a dermal sensitizer. Dazomet is very toxic to aquatic organisms, and also acutely toxic to mammals.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • My Exposome Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Amine
  • Carbamate
  • Ester
  • Ether
  • Fungicide
  • Lachrymator
  • Organic Compound
  • Pesticide
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazineChEBI
3,5-Dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thioneChEBI
3,5-Dimethyl-2-thionotetrahydro-1,3,5-thiadiazineChEBI
3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thioneChEBI
3,5-Dimethyltetrahydro-1,3,5-thiadiazine-2-thioneChEBI
3,5-Dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thioneChEBI
BasamidChEBI
Crag 974ChEBI
DazobergChEBI
DimethylformocarbothialdineChEBI
DMTTChEBI
MyloneChEBI
NSC 4737ChEBI
Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thioneChEBI
Tetrahydro-3,5-dimethyl-2H-1,3,5-thiadiazine-2-thioneChEBI
TiazonChEBI
UCC 974ChEBI
ThiazoneMeSH
BasamideMeSH
Chemical FormulaC5H10N2S2
Average Molecular Mass162.276 g/mol
Monoisotopic Mass162.029 g/mol
CAS Registry Number533-74-4
IUPAC Name3,5-dimethyl-1,3,5-thiadiazinane-2-thione
Traditional Namethiazon
SMILESCN1CSC(=S)N(C)C1
InChI IdentifierInChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3
InChI KeyQAYICIQNSGETAS-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as thiadiazinanes. These are organic heterocyclic compounds containing a six-membered saturated heterocycle with two nitrogen, one sulfur, and three carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassThiadiazinanes
Sub ClassNot Available
Direct ParentThiadiazinanes
Alternative Parents
Substituents
  • Thiadiazinane
  • Cyclic dithiocarbamic acid ester
  • Dithiocarbamic acid ester
  • Azacycle
  • Hemithioaminal
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
Applications
Biological Roles
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility7.08 g/LALOGPS
logP0.48ALOGPS
logP1.28ChemAxon
logS-1.4ALOGPS
pKa (Strongest Basic)4.06ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area6.48 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity46.17 m³·mol⁻¹ChemAxon
Polarizability17.07 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03fv-9800000000-aa787fe0c30c555215f9Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
LC-MS/MSLC-MS/MS Spectrum - 90V, Positivesplash10-0udi-9000000000-bf9941b6e7a6373b7f2cSpectrum
LC-MS/MSLC-MS/MS Spectrum - 60V, Positivesplash10-0udi-9000000000-368c42a6d7ee85141a77Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-3ecedce2ba244c2f12deSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01ox-9500000000-f738742d8c3ded2dfaddSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00fu-9100000000-2f83da49ca198d71f490Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-1900000000-3e8a6f9481c91dfc61eaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-9000000000-6562c489ef7514276a00Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9400000000-7a22a443ad1ae1644cf8Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-17273c55bad7b32a733aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-3900000000-819e429fabd42676a5c1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00dl-9000000000-2715701f2952b363f29cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-2900000000-114e0dedaeab968a6e69Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-9200000000-68336301c10a101a4177Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00di-9100000000-1b39126daf8886f95467Spectrum
MSMass Spectrum (Electron Ionization)splash10-0006-9100000000-5a7d67bda2e5c3972d54Spectrum
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 LinkDazomet
Chemspider IDNot Available
ChEBI ID75212
PubChem Compound ID10788
Kegg Compound IDC18457
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=18399425
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=22228481
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=22522815
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=4736772
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=786239
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