Try beta.chemspider
5-(1,1-Dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxy-N-[2-(2-methyl-2-propanyl)phenyl]benzenesulfonamide
CC(C)(C)c1ccccc1NS(=O)(=O)c2cc(ccc2OC)N3C(=O)CCS3(=O)=O
InChI=1S/C20H24N2O6S2/c1-20(2,3)15-7-5-6-8-16(15)21-30(26,27)18-13-14(9-10-17(18)28-4)22-19(23)11-12-29(22,24)25/h5-10,13,21H,11-12H2,1-4H3
TUVYQMIXQKIFKB-UHFFFAOYSA-N
CSID:20528745, http://www.chemspider.com/Chemical-Structure.20528745.html (accessed 22:32, Jul 22, 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) = 3.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 627.97 (Adapted Stein & Brown method) Melting Pt (deg C): 272.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.58E-014 (Modified Grain method) Subcooled liquid VP: 1.36E-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): 2.612 log Kow used: 3.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.36762 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.882E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.21 (KowWin est) Log Kaw used: -11.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.586 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4801 Biowin2 (Non-Linear Model) : 0.0525 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9289 (months ) Biowin4 (Primary Survey Model) : 3.1185 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2727 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5465 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): 1.81E-009 Pa (1.36E-011 mm Hg) Log Koa (Koawin est ): 14.586 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.65E+003 Octanol/air (Koa) model: 94.6 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 = 73.6470 E-12 cm3/molecule-sec Half-Life = 0.145 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.743 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 : 9213 Log Koc: 3.964 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 = 1.771 (BCF = 58.98) log Kow used: 3.21 (estimated) Volatilization from Water: Henry LC: 1.03E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.209E+010 hours (5.038E+008 days) Half-Life from Model Lake : 1.319E+011 hours (5.496E+009 days) Removal In Wastewater Treatment: Total removal: 7.93 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.79 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 0.0358 3.48 1000 Water 11.8 1.44e+003 1000 Soil 87.7 2.88e+003 1000 Sediment 0.491 1.3e+004 0 Persistence Time: 2.17e+003 hr
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