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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
23.03.2013 - 09.04.2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to
Guideline:
other: as mention below
Principles of method if other than guideline:
Measurement of capacity of a compound to dissociate into respective ions.
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material : 5-methoxy-1,3-dihydro-2H-benzimidazole-2-thione
- Molecular formula : C8H8N2OS
- Molecular weight : 180.2302 g/mol
- Smiles notation : COc1ccc2c(c1)nc([nH]2)S
- InChl : 1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
- Substance type : Organic
- Physical state : Solid
Dissociating properties:
yes
No.:
#1
pKa:
0
Temp.:
37 °C
Remarks on result:
other: 0.297 x 10-8 = 0.00000000297
No.:
#2
pKa:
0
Temp.:
37 °C
Remarks on result:
other: 0.297 x 10-8 = 0.00000000297
No.:
#3
pKa:
0
Temp.:
37 °C
Remarks on result:
other: 0.298 x 10-8 = 0.00000000298
Conclusions:
The experimental pKa value for test chemical was determine to be 0.0000000029733333 (average pKa value) at 37deg C indicating that the chemical has dissociation properties.
Executive summary:

The experimental pKa value for test chemical was determine to be 0.0000000029733333 (average pKa value) at 37deg C indicating that the chemical has dissociation properties.

Description of key information

The experimental pKa value for test chemical was determine to be 0.0000000029733333 (average pKa value) at 37deg C indicating that the chemical has dissociation properties.

Key value for chemical safety assessment

pKa at 20°C:
0

Additional information

The experimental pKa value for test chemical was determine to be 0.0000000029733333 (average pKa value) at 37deg C indicating that the chemical has dissociation properties.