Cgp 20308
2-tert-butyl-6-isothiocyanato-5-methoxy-1,3-benzothiazole
Also Known As: Cgp 20308|2-tert-Butyl-5-methoxy-6-isothiocyanatobenzthiazole|2-tert-butyl-6-isothiocyanato-5-methoxy-1,3-benzothiazole|1-propan-2-ylidene-3a,4,7,7a-tetrahydroindene|2-tert.-butyl-6-isothiocyano-5-methoxy-benzthiazole|Benzothiazole, 2-(1,1-dimethylethyl)-6-isothiocyanato-5-methoxy-|2-tert-butyl-5-methoxy-6-isothiocyanato benzthiazole|2-(tert-butyl)-6-isothiocyanato-5-methoxybenzo[d]thiazole|Benzothiazole,2-(1,1-dimethylethyl)-6- isothiocyanato-5-methoxy-
| Molecular Formula | C13H14N2OS2 |
|---|---|
| Molecular Weight | 278.05475 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.05475 |
| Monoisotopic Mass | 278.05475 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 7482-70-4 |
|---|---|
| SMILES | CC(C)(C)C1=NC2=CC(=C(C=C2S1)N=C=S)OC |
| InChIKey | RLSTWBDBLBQLRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cgp 20308 (CAS 7482-70-4), with molecular formula C13H14N2OS2 and molecular weight 278.05475 g/mol. IUPAC: 2-tert-butyl-6-isothiocyanato-5-methoxy-1,3-benzothiazole.