Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Computer model
Title:
Unnamed
Year:
2010

Materials and methods

Principles of method if other than guideline:
Computer model

Test material

Constituent 1
Chemical structure
Reference substance name:
4-[(morpholinothio)thioxomethyl]morpholine
EC Number:
237-335-9
EC Name:
4-[(morpholinothio)thioxomethyl]morpholine
Cas Number:
13752-51-7
Molecular formula:
C9H16N2O2S2
IUPAC Name:
morpholin-4-yl morpholine-4-carbodithioate

Results and discussion

Dissociation constantopen allclose all
No.:
#1
pKa:
-6.65
No.:
#2
pKa:
-4.44

Any other information on results incl. tables

Since a negative value was obtained using the model, any dissociation is beyond the normal environmental range and has no effect on the molecule’s behaviour over the normal pH range.

Applicant's summary and conclusion

Conclusions:
Calculated pKa values are -6.65 and -4.44. Since a negative value was obtained using the model, any dissociation is beyond the normal environmental range and has no effect on the molecule’s behaviour over the normal pH range.