6-Methoxy-1,3-benzothiazol-2-amine
COc1ccc2c(c1)sc(n2)N
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)
KZHGPDSVHSDCMX-UHFFFAOYSA-N
CSID:14869, http://www.chemspider.com/Chemical-Structure.14869.html (accessed 20:06, Jun 1, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 334.37 (Adapted Stein & Brown method) Melting Pt (deg C): 123.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.25E-005 (Modified Grain method) Subcooled liquid VP: 0.000309 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): 914.1 log Kow used: 2.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5513.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.82E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.431E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.08 (KowWin est) Log Kaw used: -9.495 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.575 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5599 Biowin2 (Non-Linear Model) : 0.6880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6078 (weeks-months) Biowin4 (Primary Survey Model) : 3.5565 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2386 Biowin6 (MITI Non-Linear Model): 0.0997 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3704 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): 0.0412 Pa (0.000309 mm Hg) Log Koa (Koawin est ): 11.575 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.28E-005 Octanol/air (Koa) model: 0.0923 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00262 Mackay model : 0.00579 Octanol/air (Koa) model: 0.881 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.8296 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.639 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00421 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1148 Log Koc: 3.060 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 = 0.904 (BCF = 8.014) log Kow used: 2.08 (estimated) Volatilization from Water: Henry LC: 7.82E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.005E+008 hours (4.188E+006 days) Half-Life from Model Lake : 1.097E+009 hours (4.569E+007 days) Removal In Wastewater Treatment: Total removal: 2.33 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.23 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 7.31e-005 1.28 1000 Water 21.6 900 1000 Soil 78.3 1.8e+003 1000 Sediment 0.0921 8.1e+003 0 Persistence Time: 1.46e+003 hr
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