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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

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