Registration Dossier
Registration Dossier
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EC number: 217-232-5 | CAS number: 1783-81-9
Repeated dose toxicity: oral
Administrative data
- Endpoint:
- repeated dose toxicity: oral, other
- Remarks:
- OECD QSAR Toolbox
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Study period:
- 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
- Justification for type of information:
- 1. SOFTWARE
OECD QSAR Toolbox
2. MODEL (incl. version number)
Toolbox Version 4.3.1 (released February 2019)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles code:
c1(cc(ccc1)N)SC
CAS-Number:
1783-81-9 (mono constituent)
Chemical name:
3-(methylthio)aniline
Molecular formula:
C7H9NS
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Repeated dose Toxicity
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Software tool(s) used including version: QSAR Toolbox version 4.3.1
- Model(s) used: QSAR Toolbox
Test material
- Reference substance name:
- 3-(methylthio)aniline
- EC Number:
- 217-232-5
- EC Name:
- 3-(methylthio)aniline
- Cas Number:
- 1783-81-9
- Molecular formula:
- C7H9NS
- IUPAC Name:
- 3-(methylsulfanyl)aniline
- Test material form:
- liquid
Constituent 1
Results and discussion
Any other information on results incl. tables
The QSAR Toolbox refers to 'Thiocarbamates/Sulphides (Hepatotoxicity) No rank' with regard to repeated dose toxicity.
The Toxic hazard classification by Cramer is given with 'High (Class III) by the Toolbox.
Applicant's summary and conclusion
- Executive summary:
The structure activity relationship of the substance was investigated by using the QSAR Toolbox 4.3.1 (released 2019).
The QSAR Toolbox refers to 'Thiocarbamates/Sulphides (Hepatotoxicity) No rank' with regard to repeated dose toxicity.
The Toxic hazard classification by Cramer is given with 'High (Class III) by the Toolbox.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
