4,6-dimethyl-2-(2-thienylcarbonyl)isothiazolo[5,4-b]pyridin-3(2H)-one
4447
Reference
4,6-dimethyl-2-(2-thienylcarbonyl)isothiazolo[5,4-b]pyridin-3(2H)-one Structure
Systematic / IUPAC Name: 4,6-Dimethyl-2-(2-thienylcarbonyl)[1,2]thiazolo[5,4-b]pyridin-3(2H)-one
ID: Reference4447
Other Names: Isothiazolo[5,4-b]pyridin-3(2H)-one, 4,6-dimethyl-2-(2-thienylcarbonyl)-
Formula: C13H10N2O2S2
Spectral Data
4,6-dimethyl-2-(2-thienylcarbonyl)isothiazolo[5,4-b]pyridin-3(2H)-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/7/2016 11:02:42 AM |
Identificators
| InChI | InChI=1S/C13H10N2O2S2/c1-7-6-8(2)14-11-10(7)13(17)15(19-11)12(16)9-4-3-5-18-9/h3-6H,1-2H3 |
| InChI Key | SRHVPBZHRXZPOR-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=NC2=C1C(=O)N(S2)C(=O)C3=CC=CS3)C |
| CAS | |
| Splash | |
| Other Names | Isothiazolo[5,4-b]pyridin-3(2H)-one, 4,6-dimethyl-2-(2-thienylcarbonyl)- |
In Other Databases
| PubChem | 2816786 |
| ChEMBL | CHEMBL2087789 |
| ChemSpider | 2095116 |