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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}methanimidamide dihydrochloride
EC Number:
618-106-6
Cas Number:
88046-01-9
Molecular formula:
C6H12Cl2N6S2
IUPAC Name:
{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}methanimidamide dihydrochloride

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
< 1
Temp.:
30 °C
pH:
3.89
Details on results:
Determination of the partition coefficient of Methyl-guanidyl-thiazole dihydrochloride monohydrate was based on the measurement of retention time of the test and reference items by reverse phase HPLC method. The retention times of the test and reference items were determined in two replicates injecting twice both of them. The test item was dissolved in methanol/ultrapure water (55:45) to obtain a final concentration of 100 mg/l.
Dead-time measured by Thiourea was 0.930 minute.
In order to correlate the calculated capacity factor k of test item with its logPow, a calibration graph using six reference substances in the logPow, range of 1.0 – 2.9 logPow values were used. As retention time of Methyl-guanidyl-thiazole dihydrochloride monohydrate was less than the dead-time (retention time of Thiourea), so log k may not be calculated by Microsoft Office Excel 2013. The value of partition coefficient of Methyl-guanidyl-thiazole dihydrochloride: logPow < 1.0

Applicant's summary and conclusion