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: | 779 | |
|---|---|---|
| Name: | 1,3-benzothiazole-2-thiol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Benzothiazolethiol | |
| Labels: | ||
| CAS: | 149-30-4 | |
| InChi Code: | InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.25 |
experimental value |
| 2.6643 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1020807 | US EPA CompTox Dashboard |