ChemSpider 2D Image | Clorsulon | C8H8Cl3N3O4S2

Clorsulon

  • Molecular FormulaC8H8Cl3N3O4S2
  • Average mass380.656 Da
  • Monoisotopic mass378.902191 Da
  • ChemSpider ID39399

More details:

Featured data source
The Merck Index Online

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

1,3-Benzenedisulfonamide, 4-amino-6-(1,2,2-trichloroethenyl)- [ACD/Index Name]
262-100-2 [EINECS]
4-amino-6-(trichloroethenyl)benzene-1,3-disulfonamide
4-Amino-6-(trichlorovinyl)-1,3-benzenedisulfonamide [ACD/IUPAC Name]
4-Amino-6-(trichlorovinyl)-1,3-benzènedisulfonamide [French] [ACD/IUPAC Name]
4-Amino-6-(trichlorovinyl)benzene-1,3-disulfonamide
4-Amino-6-(trichlorvinyl)-1,3-benzoldisulfonamid [German] [ACD/IUPAC Name]
60200-06-8 [RN]
Clorsulon [USAN]
EG1ZDO6LRD
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5237 [DBID]
33973_RIEDEL [DBID]
BRN 2821757 [DBID]
D03565 [DBID]
L 631529 [DBID]
L-631529 [DBID]
MK 401 [DBID]
MK-401 [DBID]
NCGC00016893-01 [DBID]
Prestwick0_000540 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Others TargetMol T1137

    • Bio Activity:

      Anti-infection MedChem Express HY-B0488
      Anti-infection; MedChem Express HY-B0488
      Antiparasitic MedChem Express HY-B0488
      Clorsulon is used in the treatment of Fasciola hepatica infections in calves and sheep. MedChem Express
      Clorsulon is used in the treatment of Fasciola hepatica infections in calves and sheep.; Target: Antiparasitic; Clorsulon is a competitive inhibitor of both 3-phosphoglycorate and ATP and had a Ki of 0.29 mM, inhibits glucose utilization and acetate and propionate formation by mature Fasciola hepatica in vitro. MedChem Express HY-B0488
      Clorsulon is used in the treatment of Fasciola hepatica infections in calves and sheep.;Target: AntiparasiticClorsulon is a competitive inhibitor of both 3-phosphoglycorate and ATP and had a Ki of 0.29 mM, inhibits glucose utilization and acetate and propionate formation by mature Fasciola hepatica in vitro. [1] Clorsulon (a single dose of 15 mg/kg) is effective in removing over 90% of immature Fasciola hepatica from sheep (6 weeks after infection) and calves (8 weeks after infection). A 2.5 mg/kg dose removed over 90% of mature (16 weeks old) liver fluke from sheep [1]. Clorsulon causes severe disruption to the tegument and gut of Fasciola hepatica after in vivo incubation [2]. MedChem Express HY-B0488
      Others TargetMol T1137

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

Density: 1.8±0.1 g/cm3
Boiling Point: 651.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 348.0±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.86
ACD/KOC (pH 5.5): 123.37
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 120.91
Polar Surface Area: 163 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 211.4±3.0 cm3

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  527.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  225.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.15E-011  (Modified Grain method)
    MP  (exp database):  203 deg C
    Subcooled liquid VP: 5.44E-009 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):  41.76
       log Kow used: 1.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2062.2 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aromatic Amines
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.23E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.575E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.09  (KowWin est)
  Log Kaw used:  -13.040  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.130
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0016
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7035  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8883  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.5583
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3234
 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):  7.25E-007 Pa (5.44E-009 mm Hg)
  Log Koa (Koawin est  ): 14.130
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.14 
       Octanol/air (Koa) model:  33.1 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.993 
       Mackay model           :  0.997 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.6446 E-12 cm3/molecule-sec
      Half-Life =     1.895 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.739 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.006141 E-17 cm3/molecule-sec
      Half-Life =   186.619 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  567.3
      Log Koc:  2.754 

 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 = 0.142 (BCF = 1.386)
       log Kow used: 1.09 (estimated)

 Volatilization from Water:
    Henry LC:  2.23E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.122E+011  hours   (2.134E+010 days)
    Half-Life from Model Lake : 5.588E+012  hours   (2.328E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       2.31e-006       45           1000       
   Water     45.8            4.32e+003    1000       
   Soil      54.1            8.64e+003    1000       
   Sediment  0.102           3.89e+004    0          
     Persistence Time: 1.74e+003 hr

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