CAS Num: 038205-60-6
SMILES : n1c(C)sc(C(=O)C)c1C
CHEM   : 
MOL FOR: C7 H9 N1 O1 S1 
MOL WT : 155.22
------------------------------ 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) =  1.77

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  246.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0154  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.05  (Modified Grain method)
    Subcooled liquid VP: 0.0324 mm Hg (25 deg C, Mod-Grain method)
                       : 4.32 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2223
       log Kow used: 1.77 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12855 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.50E-009  atm-m3/mole  (8.61E-004 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:  1.415E-006 atm-m3/mole  (1.434E-001 Pa-m3/mole)
      VP:   0.0154 mm Hg (source: MPBPVP)
      WS:   2.22E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.77  (KowWin est)
  Log Kaw used:  -6.459  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.229
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7898
   Biowin2 (Non-Linear Model)     :   0.8184
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6840  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4645  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4514
   Biowin6 (MITI Non-Linear Model):   0.3804
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3789
 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):  4.32 Pa (0.0324 mm Hg)
  Log Koa (Koawin est  ): 8.229
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.94E-007 
       Octanol/air (Koa) model:  4.16E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.51E-005 
       Mackay model           :  5.56E-005 
       Octanol/air (Koa) model:  0.00332 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.7740 E-12 cm3/molecule-sec
      Half-Life =     6.029 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    72.352 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.03E-005 (Junge-Pankow, Mackay avg)
      0.00332 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  74.73  L/kg (MCI method)
      Log Koc:  1.873       (MCI method)
      Koc    :  125.8  L/kg (Kow method)
      Log Koc:  2.100       (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 = 0.249 (BCF = 1.772 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5856 days (HL = 0.02597 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.528 (BCF = 3.375)
   Log BAF Arnot-Gobas method (upper trophic) = 0.528 (BAF = 3.375)
       log Kow used: 1.77 (estimated)

 Volatilization from Water:
    Henry LC:  8.5E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.582E+004  hours   (3576 days)
    Half-Life from Model Lake : 9.363E+005  hours   (3.901E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               2.08  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.99  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       0.0726          145          1000       
   Water     19.1            900          1000       
   Soil      80.8            1.8e+003     1000       
   Sediment  0.105           8.1e+003     0          
     Persistence Time: 1.52e+003 hr