ChemSpider 2D Image | Dazomet | C5H10N2S2

Dazomet

  • Molecular FormulaC5H10N2S2
  • Average mass162.276 Da
  • Monoisotopic mass162.028534 Da
  • ChemSpider ID10332

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

208-576-7 [EINECS]
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl- [ACD/Index Name]
3,5-Dimethyl-1,3,5-thiadiazinan-2-thion [German] [ACD/IUPAC Name]
3,5-Dimethyl-1,3,5-thiadiazinane-2-thione [ACD/IUPAC Name]
3,5-Diméthyl-1,3,5-thiadiazinane-2-thione [French] [ACD/IUPAC Name]
3,5-Dimethylperhydro-1,3,5-thiadiazin-2-thion [German]
533-74-4 [RN]
Basamide [Trade name]
Dazomet [Wiki]
DMTT
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

45419_RIEDEL [DBID]
AIDS016482 [DBID]
AIDS-016482 [DBID]
BRN 0116039 [DBID]
Caswell No. 840 [DBID]
Crag 974 [DBID]
D 35 [DBID]
EPA Pesticide Chemical Code 035602 [DBID]
HSDB 1642 [DBID]
Maybridge1_000020 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      GHS07; GHS09 Biosynth W-105744
      H302; H319; H410 Biosynth W-105744
      P273; P305+P351+P338; P501 Biosynth W-105744
      Warning Biosynth W-105744
    • Chemical Class:

      A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nem aticide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control <ital>Salmonella</ital> . It is a non-ozone-depleting alternative to methyl bromide. ChEBI CHEBI:75212
  • Gas Chromatography
    • Retention Index (Kovats):

      1395 (estimated with error: 89) NIST Spectra mainlib_291859, replib_53784
      1676 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 533744; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb W HP; Data type: Kovats RI; Authors: Osselton, M.D.; Snelling, R.D., Chromatographic Identification of Pesticides, J. Chromatogr., 368, 1986, 265-271.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1665.9 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 6 ft; Column type: Packed; CAS no: 533744; Active phase: DC-200; Carrier gas: He; Substrate: Chromosorb W HP (80-100 mesh); Data type: Normal alkane RI; Authors: Laski, R.R.; Watts, R.R., Gas chromatography of organonitrogen pesticides, using a nitrogen-specific detection system, J. Ass. Offic. Anal. Chem, 55(2), 1973, 328-332.) NIST Spectra nist ri
      1663.4 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 2.4 m; Column type: Packed; Heat rate: 10 K/min; Start T: 150 C; End T: 300 C; CAS no: 533744; Active phase: OV-101; Substrate: Gas Chrom Q; Data type: Normal alkane RI; Authors: Bowman, M.C.; Beroza, M., GLC Retention Times of Pesticides and Metabolites Containing Phosphorus and Sulfur on Four Thermally Stable Columns, J. Ass. Offic. Anal. Chem, 53(3), 1970, 499-508.) NIST Spectra nist ri
      1707.3 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.2 mm; Column length: 25 m; Column type: Capillary; Description: 100C(1min) => 30C/min=> 150C(2min) => 3C/min=> 205C => 10C/min =>260C(29min); CAS no: 533744; Active phase: SE-54; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Stan, H.-J., Pesticide residue analysis in foodstuffs applying capillary gas chromatography with mass spectrometric detection State-of-the-art use of modified DFG-multimethod S19 and automated data evaluation, J. Chromatogr. A, 892, 2000, 347-377.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 222.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.9±3.0 kJ/mol
Flash Point: 88.2±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 46.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 51.54
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 51.67
Polar Surface Area: 64 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 125.3±5.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.94
    Log Kow (Exper. database match) =  1.40
       Exper. Ref:  Tomlin,C (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  294.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000415  (Modified Grain method)
    MP  (exp database):  106 deg C
    VP  (exp database):  2.80E-06 mm Hg at 20 deg C
    Subcooled liquid VP: 1.77E-005 mm Hg (20 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4259
       log Kow used: 1.40 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3000 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1994)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  3000.00
       Exper. Ref:  TOMLIN,C (1994)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.84E-003  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 4.98E-10  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.080E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.40  (exp database)
  Log Kaw used:  -7.691  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.091
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5446
   Biowin2 (Non-Linear Model)     :   0.3754
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5391  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5193  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1414
   Biowin6 (MITI Non-Linear Model):   0.1123
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6379
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00236 Pa (1.77E-005 mm Hg)
  Log Koa (Koawin est  ): 9.091
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00127 
       Octanol/air (Koa) model:  0.000303 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0439 
       Mackay model           :  0.0923 
       Octanol/air (Koa) model:  0.0236 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 284.7636 E-12 cm3/molecule-sec
      Half-Life =     0.038 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.044 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0681 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  13.64
      Log Koc:  1.135 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.378 (BCF = 2.388)
       log Kow used: 1.40 (expkow database)

 Volatilization from Water:
    Henry LC:  4.98E-010 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.498E+006  hours   (6.24E+004 days)
    Half-Life from Model Lake : 1.634E+007  hours   (6.807E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.95  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.85  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00539         0.901        1000       
   Water     35.4            900          1000       
   Soil      64.5            1.8e+003     1000       
   Sediment  0.085           8.1e+003     0          
     Persistence Time: 1.09e+003 hr




                    

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