Try beta.chemspider
3-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
O=C(Nc1nnc(s1)C)CCN2C(=O)C(NC2=O)(C)C
InChI=1S/C11H15N5O3S/c1-6-14-15-9(20-6)12-7(17)4-5-16-8(18)11(2,3)13-10(16)19/h4-5H2,1-3H3,(H,13,19)(H,12,15,17)
JAYFVIZBRDFRSP-UHFFFAOYSA-N
CSID:7458458, http://www.chemspider.com/Chemical-Structure.7458458.html (accessed 15:31, May 11, 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) = -0.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 603.82 (Adapted Stein & Brown method) Melting Pt (deg C): 261.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.53E-013 (Modified Grain method) Subcooled liquid VP: 5.86E-011 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): 2050 log Kow used: -0.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2320.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.16E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.920E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.61 (KowWin est) Log Kaw used: -17.054 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.444 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6869 Biowin2 (Non-Linear Model) : 0.5822 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2009 (months ) Biowin4 (Primary Survey Model) : 3.4022 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1629 Biowin6 (MITI Non-Linear Model): 0.0274 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5450 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): 7.81E-009 Pa (5.86E-011 mm Hg) Log Koa (Koawin est ): 16.444 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 384 Octanol/air (Koa) model: 6.82E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.6931 E-12 cm3/molecule-sec Half-Life = 0.543 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.518 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10.7 Log Koc: 1.029 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: -0.61 (estimated) Volatilization from Water: Henry LC: 2.16E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.674E+015 hours (1.947E+014 days) Half-Life from Model Lake : 5.099E+016 hours (2.124E+015 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.83e-008 13 1000 Water 49.3 1.44e+003 1000 Soil 50.6 2.88e+003 1000 Sediment 0.0961 1.3e+004 0 Persistence Time: 1.17e+003 hr
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