Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 555 | |
|---|---|---|
| Name: | dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2). tetramethyl- | |
| Labels: | ||
| CAS: | 137-26-8 | |
| InChi Code: | InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.83 |
experimental value |
| 3.0434 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.33858 |
experimental value |
| 0.8889 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.184174539 |
experimental value |
| 0.25 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |