Try beta.chemspider
4-Thioxo-1,3-thiazolidin-2-one
C1C(=S)NC(=O)S1
InChI=1S/C3H3NOS2/c5-3-4-2(6)1-7-3/h1H2,(H,4,5,6)
XTSVDOIDJDJMDS-UHFFFAOYSA-N
CSID:1260359, http://www.chemspider.com/Chemical-Structure.1260359.html (accessed 23:30, May 2, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 354.02 (Adapted Stein & Brown method) Melting Pt (deg C): 126.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.03E-005 (Modified Grain method) Subcooled liquid VP: 0.000106 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.13e+005 log Kow used: -0.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20198 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.80E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.474E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.44 (KowWin est) Log Kaw used: -4.707 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.267 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7637 Biowin2 (Non-Linear Model) : 0.8935 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8581 (weeks ) Biowin4 (Primary Survey Model) : 3.8492 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2922 Biowin6 (MITI Non-Linear Model): 0.3399 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7161 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): 0.0141 Pa (0.000106 mm Hg) Log Koa (Koawin est ): 4.267 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000212 Octanol/air (Koa) model: 4.54E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00761 Mackay model : 0.0167 Octanol/air (Koa) model: 3.63E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.9145 E-12 cm3/molecule-sec Half-Life = 0.717 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.606 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0122 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.764 Log Koc: 0.247 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.44 (estimated) Volatilization from Water: Henry LC: 4.8E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1409 hours (58.7 days) Half-Life from Model Lake : 1.547E+004 hours (644.4 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.76 17.2 1000 Water 46.4 360 1000 Soil 51.8 720 1000 Sediment 0.0851 3.24e+003 0 Persistence Time: 365 hr
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