3,5-Dichloro-4H-1,2,6-thiadiazin-4-one
Cl\C1=N\S\N=C(\Cl)C1=O CopyCopied
InChI=1S/C3Cl2N2OS/c4-2-1(8)3(5)7-9-6-2 CopyCopied
ZKHPZXACANWNKQ-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
AIDS130537 [DBID]
AIDS-130537 [DBID]
NCI60_004609 [DBID]
NSC603974 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 271.96 (Adapted Stein & Brown method) Melting Pt (deg C): 93.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00187 (Modified Grain method) Subcooled liquid VP: 0.00854 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): 444.7 log Kow used: 2.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1657.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.13E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.013E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.43 (KowWin est) Log Kaw used: -1.478 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.908 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4445 Biowin2 (Non-Linear Model) : 0.0230 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4259 (weeks-months) Biowin4 (Primary Survey Model) : 3.3603 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2876 Biowin6 (MITI Non-Linear Model): 0.0391 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4149 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): 1.14 Pa (0.00854 mm Hg) Log Koa (Koawin est ): 3.908 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.63E-006 Octanol/air (Koa) model: 1.99E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.52E-005 Mackay model : 0.000211 Octanol/air (Koa) model: 1.59E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000153 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 41.41 Log Koc: 1.617 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 = 1.174 (BCF = 14.92) log Kow used: 2.43 (estimated) Volatilization from Water: Henry LC: 0.000813 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.355 hours Half-Life from Model Lake : 139.1 hours (5.797 days) Removal In Wastewater Treatment: Total removal: 27.67 percent Total biodegradation: 0.08 percent Total sludge adsorption: 2.31 percent Total to Air: 25.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 19.6 1e+005 1000 Water 25.6 900 1000 Soil 54.7 1.8e+003 1000 Sediment 0.185 8.1e+003 0 Persistence Time: 381 hr
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