CAS Number: 57246-59-0
SMILES : CCCCc1c(scn1)CCC
CHEM   : 
MOL FOR: C10 H17 N1 S1 
MOL WT : 183.31
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  4.54
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  264.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  67.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00515  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.687  (Modified Grain method)
    Subcooled liquid VP: 0.0128 mm Hg (25 deg C, Mod-Grain method)
                       : 1.71 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  6.996
       log Kow used: 4.54 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.92E-005  atm-m3/mole  (1.95E+000 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:  1.776E-004 atm-m3/mole  (1.799E+001 Pa-m3/mole)
      VP:   0.00515 mm Hg (source: MPBPVP)
      WS:   7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.54  (KowWin est)
  Log Kaw used:  -3.105  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.645
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8780
   Biowin2 (Non-Linear Model)     :   0.9678
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9427  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7153  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2127
   Biowin6 (MITI Non-Linear Model):   0.1725
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0982
 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):  1.71 Pa (0.0128 mm Hg)
  Log Koa (Koawin est  ): 7.645
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.76E-006 
       Octanol/air (Koa) model:  1.08E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.35E-005 
       Mackay model           :  0.000141 
       Octanol/air (Koa) model:  0.000866 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.4209 E-12 cm3/molecule-sec
      Half-Life =     1.270 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.242 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000102 (Junge-Pankow, Mackay avg)
      0.000866 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4627  L/kg (MCI method)
      Log Koc:  3.665       (MCI method)
      Koc    :  8707  L/kg (Kow method)
      Log Koc:  3.940       (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 v3.01):
   Log BCF from regression-based method = 2.665 (BCF = 461.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5053 days (HL = 0.3124 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.108 (BCF = 128.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.108 (BAF = 128.2)
       log Kow used: 4.54 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.92E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      42.67  hours   (1.778 days)
    Half-Life from Model Lake :        579  hours   (24.12 days)
 
 Removal In Wastewater Treatment:
    Total removal:              58.37  percent
    Total biodegradation:        0.53  percent
    Total sludge adsorption:    57.43  percent
    Total to Air:                0.41  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.2             30.5         1000       
   Water     22.5            360          1000       
   Soil      72.1            720          1000       
   Sediment  3.21            3.24e+003    0          
     Persistence Time: 481 hr