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EC number: 253-326-2 | CAS number: 37052-78-1
Dissociation constant
Administrative data
Link to relevant study record(s)
- 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
- 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.
Reference
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.
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