Try beta.chemspider
2-Hydrazino-5,6-dimethyl-1,3-benzothiazole
Cc1cc2c(cc1C)sc(n2)NN
InChI=1S/C9H11N3S/c1-5-3-7-8(4-6(5)2)13-9(11-7)12-10/h3-4H,10H2,1-2H3,(H,11,12)
QNPPOSLNDDRPTR-UHFFFAOYSA-N
CSID:15583589, http://www.chemspider.com/Chemical-Structure.15583589.html (accessed 15:00, Jun 14, 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) = 2.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 344.14 (Adapted Stein & Brown method) Melting Pt (deg C): 130.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.6E-005 (Modified Grain method) Subcooled liquid VP: 0.000182 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): 186.8 log Kow used: 2.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0329e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.72E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.178E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.81 (KowWin est) Log Kaw used: -10.561 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.371 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7649 Biowin2 (Non-Linear Model) : 0.8051 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6224 (weeks-months) Biowin4 (Primary Survey Model) : 3.4318 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1365 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0983 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): 0.0243 Pa (0.000182 mm Hg) Log Koa (Koawin est ): 13.371 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000124 Octanol/air (Koa) model: 5.77 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00445 Mackay model : 0.00979 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 134.3872 E-12 cm3/molecule-sec Half-Life = 0.080 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.955 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00712 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8348 Log Koc: 3.922 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 = 1.467 (BCF = 29.34) log Kow used: 2.81 (estimated) Volatilization from Water: Henry LC: 6.72E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.211E+009 hours (5.047E+007 days) Half-Life from Model Lake : 1.321E+010 hours (5.506E+008 days) Removal In Wastewater Treatment: Total removal: 4.36 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.25 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 5.29e-006 1.91 1000 Water 13.7 900 1000 Soil 86.1 1.8e+003 1000 Sediment 0.207 8.1e+003 0 Persistence Time: 1.74e+003 hr
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