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: | 1823 | |
|---|---|---|
| Name: | 5-chloro-1,3-benzothiazole-2-thiol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 5-Chloro-2-mercaptobenzothiazole | |
| Labels: | ||
| CAS: | 5331-91-9 | |
| InChi Code: | InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.8 |
experimental value |
| 4.4695 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0022224 | US EPA CompTox Dashboard |