CAS Number: 317803-03-5
SMILES : C1CSCN1CCS
CHEM   : 2-(1,3-thiazolidin-3-yl)ethanethiol
MOL FOR: C5 H11 N1 S2 
MOL WT : 149.27
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  0.45
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  225.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  36.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0723  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.64  (Modified Grain method)
    Subcooled liquid VP: 0.0922 mm Hg (25 deg C, Mod-Grain method)
                       : 12.3 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.229e+005
       log Kow used: 0.45 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  68315 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
       Thiols and Mercaptans
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.79E-006  atm-m3/mole  (3.84E-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:  4.398E-008 atm-m3/mole  (4.456E-003 Pa-m3/mole)
      VP:   0.0723 mm Hg (source: MPBPVP)
      WS:   3.23E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.45  (KowWin est)
  Log Kaw used:  -3.810  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.260
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4712
   Biowin2 (Non-Linear Model)     :   0.2085
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6145  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3444  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3412
   Biowin6 (MITI Non-Linear Model):   0.2583
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5468
 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):  12.3 Pa (0.0922 mm Hg)
  Log Koa (Koawin est  ): 4.260
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.44E-007 
       Octanol/air (Koa) model:  4.47E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.81E-006 
       Mackay model           :  1.95E-005 
       Octanol/air (Koa) model:  3.57E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 175.7790 E-12 cm3/molecule-sec
      Half-Life =     0.061 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.730 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.42E-005 (Junge-Pankow, Mackay avg)
      3.57E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  102.6  L/kg (MCI method)
      Log Koc:  2.011       (MCI method)
      Koc    :  12.84  L/kg (Kow method)
      Log Koc:  1.109       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.2281 days (HL = 0.005915 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.023 (BCF = 0.9491)
   Log BAF Arnot-Gobas method (upper trophic) = -0.023 (BAF = 0.9491)
       log Kow used: 0.45 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.79E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        190  hours   (7.916 days)
    Half-Life from Model Lake :       2175  hours   (90.63 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.07  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.21  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0827          1.46         1000       
   Water     24.5            900          1000       
   Soil      75.2            1.8e+003     1000       
   Sediment  0.168           8.1e+003     0          
     Persistence Time: 889 hr