ChemSpider 2D Image | (1E,2E)-Bis(3-thienylmethylene)hydrazine | C10H8N2S2

(1E,2E)-Bis(3-thienylmethylene)hydrazine

  • Molecular FormulaC10H8N2S2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5259106

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,2E)-Bis(3-thienylmethylen)hydrazin [German] [ACD/IUPAC Name]
(1E,2E)-Bis(3-thienylmethylene)hydrazine [ACD/IUPAC Name]
(1E,2E)-Bis(3-thiénylméthylène)hydrazine [French] [ACD/IUPAC Name]
3-Thiophenecarboxaldehyde, 2-[(1E)-3-thienylmethylene]hydrazone [ACD/Index Name]
(E)-1-thiophen-3-yl-N-[(E)-thiophen-3-ylmethylideneamino]methanimine
1005191-42-3 [RN]
3-((1E,3E)-4-(3-thienyl)-2,3-diazabuta-1,3-dienyl)thiophene
GOWRAELJMIBCNE-YDWXAUTNSA-N
MFCD01860079 [MDL number]
thiophene-3-carbaldehyde (thien-3-ylmethylene)hydrazone

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

AI-942/25034729 [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) =  4.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  338.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  101.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.35E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000244 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):  10.43
       log Kow used: 4.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.7899 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.14E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.209E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.12  (KowWin est)
  Log Kaw used:  -3.332  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.452
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6427
   Biowin2 (Non-Linear Model)     :   0.4701
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7123  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5299  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0865
   Biowin6 (MITI Non-Linear Model):   0.0699
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3297
 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):  0.0325 Pa (0.000244 mm Hg)
  Log Koa (Koawin est  ): 7.452
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.22E-005 
       Octanol/air (Koa) model:  6.95E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00332 
       Mackay model           :  0.00732 
       Octanol/air (Koa) model:  0.000556 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  49.0992 E-12 cm3/molecule-sec
      Half-Life =     0.218 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.614 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00532 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.083E+004
      Log Koc:  4.319 

 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 = 2.471 (BCF = 295.8)
       log Kow used: 4.12 (estimated)

 Volatilization from Water:
    Henry LC:  1.14E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      77.74  hours   (3.239 days)
    Half-Life from Model Lake :      972.6  hours   (40.52 days)

 Removal In Wastewater Treatment:
    Total removal:              36.15  percent
    Total biodegradation:        0.36  percent
    Total sludge adsorption:    35.38  percent
    Total to Air:                0.40  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.225           5.23         1000       
   Water     16.1            900          1000       
   Soil      78.7            1.8e+003     1000       
   Sediment  5.01            8.1e+003     0          
     Persistence Time: 1.09e+003 hr

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