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CAS Num: 000137-41-7
SMILES : S=C(S)NC
CHEM :
MOL FOR: C2 H5 N1 S2
MOL WT : 107.19
------------------------------ 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) = 0.48
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 179.83 (Adapted Stein & Brown method)
Melting Pt (deg C): -0.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.974 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 130 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.404e+005
log Kow used: 0.48 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Thiocarbamate,Di(Free acid)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.77E-004 atm-m3/mole (1.79E+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: 3.119E-007 atm-m3/mole (3.161E-002 Pa-m3/mole)
VP: 0.974 mm Hg (source: MPBPVP)
WS: 4.4E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.48 (KowWin est)
Log Kaw used: -2.140 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.620
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6965
Biowin2 (Non-Linear Model) : 0.8156
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9623 (weeks )
Biowin4 (Primary Survey Model) : 3.6931 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3937
Biowin6 (MITI Non-Linear Model): 0.3660
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7565
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): 118 Pa (0.885 mm Hg)
Log Koa (Koawin est ): 2.620
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.54E-008
Octanol/air (Koa) model: 1.02E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.18E-007
Mackay model : 2.03E-006
Octanol/air (Koa) model: 8.19E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 96.7648 E-12 cm3/molecule-sec
Half-Life = 0.111 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.326 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.48E-006 (Junge-Pankow, Mackay avg)
8.19E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 58.65 L/kg (MCI method)
Log Koc: 1.768 (MCI method)
Koc : 278 L/kg (Kow method)
Log Koc: 2.444 (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) = -1.4193 days (HL = 0.03808 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.036 (BCF = 1.086)
Log BAF Arnot-Gobas method (upper trophic) = 0.036 (BAF = 1.086)
log Kow used: 0.48 (estimated)
Volatilization from Water:
Henry LC: 0.000177 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.481 hours
Half-Life from Model Lake : 135.7 hours (5.654 days)
Removal In Wastewater Treatment:
Total removal: 9.70 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.64 percent
Total to Air: 7.97 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.629 2.65 1000
Water 29.8 360 1000
Soil 69.4 720 1000
Sediment 0.126 3.24e+003 0
Persistence Time: 308 hr