CAS Num: 021948-70-9
SMILES : n1c(SC)cncc1
CHEM   : Pyrazine, (methylthio)-
MOL FOR: C5 H6 N2 S1 
MOL WT : 126.18
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.08
    Log Kow (Exper. database match) =  1.17
       Exper. Ref:  YAMAGAMI,C ET AL. (1990A)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  206.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  30.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.211  (Modified Grain method)
    VP (Pa, 25 deg C) :  28.2  (Modified Grain method)
    Subcooled liquid VP: 0.236 mm Hg (25 deg C, Mod-Grain method)
                       : 31.4 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9533
       log Kow used: 1.17 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  96158 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.31E-006  atm-m3/mole  (3.35E-001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.675E-006 atm-m3/mole  (3.723E-001 Pa-m3/mole)
      VP:   0.211 mm Hg (source: MPBPVP)
      WS:   9.53E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.17  (exp database)
  Log Kaw used:  -3.869  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.039
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6875
   Biowin2 (Non-Linear Model)     :   0.7715
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9203  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6657  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3618
   Biowin6 (MITI Non-Linear Model):   0.3236
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4702
 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):  31.5 Pa (0.236 mm Hg)
  Log Koa (Koawin est  ): 5.039
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.53E-008 
       Octanol/air (Koa) model:  2.69E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.44E-006 
       Mackay model           :  7.63E-006 
       Octanol/air (Koa) model:  2.15E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.5436 E-12 cm3/molecule-sec
      Half-Life =     4.205 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    50.460 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.54E-006 (Junge-Pankow, Mackay avg)
      2.15E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  113  L/kg (MCI method)
      Log Koc:  2.053       (MCI method)
      Koc    :  93.47  L/kg (Kow method)
      Log Koc:  1.971       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.439 (BCF = 2.748 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4568 days (HL = 0.3493 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.372 (BCF = 2.355)
   Log BAF Arnot-Gobas method (upper trophic) = 0.372 (BAF = 2.355)
       log Kow used: 1.17 (expkow database)

 Volatilization from Water:
    Henry LC:  3.31E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      199.8  hours   (8.327 days)
    Half-Life from Model Lake :       2274  hours   (94.76 days)

 Removal In Wastewater Treatment:
    Total removal:               2.09  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.81  percent
    Total to Air:                0.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.02            101          1000       
   Water     26.6            360          1000       
   Soil      69.2            720          1000       
   Sediment  0.169           3.24e+003    0          
     Persistence Time: 471 hr