Methyl 2,1,3-benzothiadiazole-5-carboxylate
methyl 2,1,3-benzothiadiazole-5-carboxylate
Also Known As: methyl 2,1,3-benzothiadiazole-5-carboxylate|ACMC-20akfm|ChemDiv3_004480|Methyl benzo-2,1,3-thiadiazole-5-carboxylate|KS-00003SGE|methyl benzo[c][1,2,5]thiadiazole-5-carboxylate|5760AD|SDCCGMLS-0066194.P001|2,1,3-Benzothiadiazole-5-carboxylic acid, methyl ester|IDI1_022390|Methyl benzo-2,1,3-thiadizole-5-carboxylate|methyl benzo[c]1,2,5-thiadiazole-5-carboxylate|methyl2,1,3-benzothiadiazole-5-carboxylate|BB 0246857|Methylbenzo-2,1,3-thiadiazole-5-carboxylate|methyl benzo[1,2,5]thiadiazole-5-carboxylate|2,1,3-Benzothiadiazole-5-carboxylicacid, methyl ester|SR-01000633142-1
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.015 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.015 |
| Monoisotopic Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 175204-21-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=NSN=C2C=C1 |
| InChIKey | LRMFSMKHXKDUDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,1,3-benzothiadiazole-5-carboxylate (CAS 175204-21-4), with molecular formula C8H6N2O2S and molecular weight 194.015 g/mol. IUPAC: methyl 2,1,3-benzothiadiazole-5-carboxylate.