2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one
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weight of evidence
data from handbook or collection of data
experimental data of read across substances
Justification for type of information:
Data for the target chemical is summarized based on the structurally similar read across chemicals
Reason / purpose:
read-across source
other: as mentioned below
WoE report is based on two hydrolysis studies as-
1. and 2.
Test material information:
- Name of test material (IUPAC name): 2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one
- Molecular formula: C16H8O2S2
- Molecular weight: 296.369 g/mol
- Smiles : O=C1c2c(S\C1=C1/Sc3c(cccc3)C1=O)cccc2
- InChI : 1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H/b16-15-
- Substance Type: Organic
- Physical State: Solid
1. The study was performed at pH 5, 7 and 9, respectively.
Negative controls:
Half-life:
other: 1. Other details not known
Details on results:
1. The half-life period of test chemical was determined to be 44 days at pH 5.0 and test chemical was reported to be hydrolytically stable at pH 7 and 9, respectively.
2. The half-life period of test chemical was determined to be 622 days. Thus, test chemical was reported to be hydrolytically stable at pH 4 and at a temperature of 25⁰C.
On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be 44 days at pH 5.0 and it was reported to be hydrolytically stable at pH 7 & 9, respectively or 622 days at pH 4 and at a temperature of 25⁰C. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.
Data available for the test chemical has been reviewed to determine the half-life of hydrolysis as a function of pH. The studies are as mentioned below:
The half-life of the test chemical was determined at different pH range. The study was performed at pH of 5, 7 and 9, respectively. The half-life period of test chemical was determined to be 44 days at pH 5.0 and test chemical was reported to be hydrolytically stable at pH 7 and 9, respectively. On the basis of this, test chemical is considered to be not hydrolysable.
In an another study, the half-life of the test chemical was determined at different pH range. The study was performed according to OECD Guideline 111 (Hydrolysis as a Function of pH) at a temperature of 25°C and pH of 4, 7 and 9, respectively. The half-life period of test chemical was determined to be 622 days at pH 4, respectively. Thus, test chemical was reported to be hydrolytically stable at pH 4 and at a temperature of 25⁰C. On the basis of this, test chemical is considered to be not hydrolysable.
On the basis of the experimental studies of thetest chemicaland applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be 44 days at pH 5.0 and it was reported to be hydrolytically stable at pH 7 & 9, respectively or 622 days at pH 4 and at a temperature of 25⁰C. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.