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: | 1396 | |
|---|---|---|
| Name: | 2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Thiocyanic acid. (2-benzothiazolylthio)methyl ester | |
| Labels: | ||
| CAS: | 21564-17-0 | |
| InChi Code: | InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.009174539 |
experimental value |
| -0.6358 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |