Found 1874 results

Search term: MF = 'C_{15}H_{15}BrN_{2}O_{2}S'
ChemSpider 2D Image | 2-(2-Bromo-4-methylphenoxy)-N'-[(E)-(3-methyl-2-thienyl)methylene]acetohydrazide | C15H15BrN2O2S

2-(2-Bromo-4-methylphenoxy)-N'-[(E)-(3-methyl-2-thienyl)methylene]acetohydrazide

  • Molecular FormulaC15H15BrN2O2S
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5268079

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(2-Brom-4-methylphenoxy)-N'-[(E)-(3-methyl-2-thienyl)methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-(2-Bromo-4-methylphenoxy)-N'-[(E)-(3-methyl-2-thienyl)methylene]acetohydrazide [ACD/IUPAC Name]
2-(2-Bromo-4-méthylphénoxy)-N'-[(E)-(3-méthyl-2-thiényl)méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-(2-bromo-4-methylphenoxy)-, 2-[(1E)-(3-methyl-2-thienyl)methylene]hydrazide [ACD/Index Name]
(2-Bromo-4-methyl-phenoxy)-acetic acid (3-methyl-thiophen-2-ylmethylene)-hydrazide
2-(2-bromo-4-methylphenoxy)-N'-[(1E)-(3-methyl-2-thienyl)methylene]acetohydrazide
2-(2-bromo-4-methylphenoxy)-N'-[(3-methylthien-2-yl)methylene]acetohydrazide
2-(2-bromo-4-methylphenoxy)-N'-[(E)-(3-methyl-2-thienyl)methylidene]acetohydrazide
2-(2-bromo-4-methylphenoxy)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]acetohydrazide
2-(2-bromo-4-methylphenoxy)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-329/40379463 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    No predicted properties have been calculated for this compound.

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  490.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  208.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.58E-010  (Modified Grain method)
    Subcooled liquid VP: 4.86E-008 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):  0.8265
       log Kow used: 4.41 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.4983 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Hydrazines
       Thiophenes

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.95E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.263E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.41  (KowWin est)
  Log Kaw used:  -9.098  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.508
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7036
   Biowin2 (Non-Linear Model)     :   0.3818
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0437  (months      )
   Biowin4 (Primary Survey Model) :   3.1044  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1452
   Biowin6 (MITI Non-Linear Model):   0.0341
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1475
 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):  6.48E-006 Pa (4.86E-008 mm Hg)
  Log Koa (Koawin est  ): 13.508
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.463 
       Octanol/air (Koa) model:  7.91 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.944 
       Mackay model           :  0.974 
       Octanol/air (Koa) model:  0.998 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  49.4792 E-12 cm3/molecule-sec
      Half-Life =     0.216 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.594 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.959 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.292E+004
      Log Koc:  4.517 

 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 = 2.699 (BCF = 500.3)
       log Kow used: 4.41 (estimated)

 Volatilization from Water:
    Henry LC:  1.95E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.754E+007  hours   (2.397E+006 days)
    Half-Life from Model Lake : 6.277E+008  hours   (2.615E+007 days)

 Removal In Wastewater Treatment:
    Total removal:              51.22  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    50.73  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       0.00221         5.19         1000       
   Water     7.94            1.44e+003    1000       
   Soil      85.7            2.88e+003    1000       
   Sediment  6.35            1.3e+004     0          
     Persistence Time: 3.02e+003 hr

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