CAS Number: 4276-68-0
SMILES : CCCc1c(sc(n1)CC)CC
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) =  4.60
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  264.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  63.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00558  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.744  (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):  6.264
       log Kow used: 4.60 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.786 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.60E-005  atm-m3/mole  (1.62E+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:  2.149E-004 atm-m3/mole  (2.177E+001 Pa-m3/mole)
      VP:   0.00558 mm Hg (source: MPBPVP)
      WS:   6.26 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.60  (KowWin est)
  Log Kaw used:  -3.184  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.784
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8243
   Biowin2 (Non-Linear Model)     :   0.8944
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5695  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3777  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0503
   Biowin6 (MITI Non-Linear Model):   0.0658
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2580
 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  ): 7.784
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.76E-006 
       Octanol/air (Koa) model:  1.49E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.35E-005 
       Mackay model           :  0.000141 
       Octanol/air (Koa) model:  0.00119 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.0675 E-12 cm3/molecule-sec
      Half-Life =     1.763 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.154 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000102 (Junge-Pankow, Mackay avg)
      0.00119 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4264  L/kg (MCI method)
      Log Koc:  3.630       (MCI method)
      Koc    :  9816  L/kg (Kow method)
      Log Koc:  3.992       (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 = 2.702 (BCF = 503.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7502 days (HL = 0.1777 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.873 (BCF = 74.65)
   Log BAF Arnot-Gobas method (upper trophic) = 1.873 (BAF = 74.66)
       log Kow used: 4.60 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.6E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      50.93  hours   (2.122 days)
    Half-Life from Model Lake :      669.1  hours   (27.88 days)
 
 Removal In Wastewater Treatment:
    Total removal:              61.36  percent
    Total biodegradation:        0.56  percent
    Total sludge adsorption:    60.48  percent
    Total to Air:                0.32  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.22            42.3         1000       
   Water     16              900          1000       
   Soil      78.8            1.8e+003     1000       
   Sediment  3.93            8.1e+003     0          
     Persistence Time: 1.1e+003 hr