Registration Dossier
Registration Dossier
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EC number: 247-391-6 | CAS number: 25985-57-3
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Remarks:
- EPI Suite
- Justification for type of information:
- The substance is only used in chemical reactors without any contact or release to the environment. All of the production waste is incinerated in incineration plant.
Data source
Reference
- Reference Type:
- other: QSAR results
- Title:
- EPI Suite SETU
- Author:
- N.N.
- Year:
- 2 017
- Bibliographic source:
- EPI Suite (v4.11)
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- The calculation of the water solubility was performed by using EPI SUite (v4.11) in addition of the calculated KOW by using WSKOW (v1.42)
Test material
- Reference substance name:
- 2-(2-sulphonatoethyl)isothiouronium
- EC Number:
- 247-391-6
- EC Name:
- 2-(2-sulphonatoethyl)isothiouronium
- Cas Number:
- 25985-57-3
- Molecular formula:
- C3H8N2O3S2
- IUPAC Name:
- 2-(carbamimidoylsulfanyl)ethane-1-sulfonic acid
- Test material form:
- solid: bulk
- Details on test material:
- pure substance
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- > 1 000 g/L
- Temp.:
- 25 °C
- Remarks on result:
- not measured/tested
- Remarks:
- calculation by EPI Suite
Applicant's summary and conclusion
- Conclusions:
- On the basis of the molecular structure the water solubilty is calculated by EPI Suite (v4.11). The substance shows a good water solubility of more than 1000 g/L.
- Executive summary:
The substance shows a good water solubility of more than 1000 g/L.
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