CAS Number: 533-74-4
SMILES : N(CSC(N1C)=S)(C1)C
CHEM   : 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-
MOL FOR: C5 H10 N2 S2 
MOL WT : 162.27
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  0.94
    Log Kow (Exper. database match) =  0.63
       Exper. Ref:  TOMLIN,C (2003)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    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)
    VP (Pa, 25 deg C) :  0.0553  (Modified Grain method)
    MP  (exp database):  106 deg C
    VP  (exp database):  2.80E-06 mm Hg (3.73E-004 Pa) at 20 deg C
    Subcooled liquid VP: 1.77E-005 mm Hg (20 deg C, exp database VP )
                       : 0.00236 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.936e+004
       log Kow used: 0.63 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3000 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Thiocarbamate, Di(Substit)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.84E-003  atm-m3/mole  (2.88E+002 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 4.98E-10  atm-m3/mole  (5.05E-005 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.577E-009 atm-m3/mole  (4.638E-004 Pa-m3/mole)
      VP:   0.000415 mm Hg (source: MPBPVP)
      WS:   1.94E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.63  (exp database)
  Log Kaw used:  -7.691  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.321
      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  ): 8.321
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00127 
       Octanol/air (Koa) model:  5.14E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0439 
       Mackay model           :  0.0923 
       Octanol/air (Koa) model:  0.0041 
 
 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-Pankow, Mackay avg)
      0.0041 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  83.67  L/kg (MCI method)
      Log Koc:  1.923       (MCI method)
      Koc    :  275.4  L/kg (Kow method)
      Log Koc:  2.440       (Kow method)
       Experimental Log Koc:  1  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.6364 days (HL = 0.00231 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.012 (BCF = 0.9731)
   Log BAF Arnot-Gobas method (upper trophic) = -0.012 (BAF = 0.9731)
       log Kow used: 0.63 (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:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       0.00396         0.901        1000       
   Water     18.8            900          1000       
   Soil      81.1            1.8e+003     1000       
   Sediment  0.111           8.1e+003     0          
     Persistence Time: 1.48e+003 hr