Registration Dossier
Registration Dossier
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EC number: 211-322-8 | CAS number: 638-16-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.73
- at the temperature of:
- 25 °C
Additional information
For the test substance and its salts, the partition coefficient was estimated with ACD/LogD Suite Program for different pH values. The Log Pow value for the neutral, undissociated keto form (1,3,5-triazine-2,4,6-trithione) is calculated as 0.73. The neutral form is only existent below pH = 5.
With increasing pH values the partition coefficients (Log D) decreases sharply to a value below -2 in the strong alkaline region as consequence of the stepwise dissociation/ depronotation of the substance. Also in the strong acid range below pH = 1 the partition coefficient is decreasing as consequence of beginning protonation of the amino groups.
These results are supported by a second QSAR caclculation with the KOWWIN model. In this report, a log Kow of 1.88 of the test substance has been estimated.
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