Basic information
- CAS
89050-42-0- Standard SMILES
CCOC(=O)c1ccc2nnsc2c1- InChIKey
HPYPREPMKIVNBF-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- Ethyl 1,2,3-benzothiadiazole-6-carboxylate
- IUPAC
- ethyl 1,2,3-benzothiadiazole-6-carboxylate
Names & synonyms
ethyl 1,2,3-benzothiadiazole-6-carboxylate89050-42-0DTXSID50356185RefChem:341873DTXCID603072441,2,3-Benzothiadiazole-6-carboxylic acid, ethyl esterSCHEMBL2769112SBB094046ethyl benzo[d]1,2,3-thiadiazoline-6-carboxylateAO-289/42804245
Database identifiers
- CAS
89050-42-0- PubChem CID
- 820271
- DTXSID
DTXSID50356185- Nikkaji
- J2.189.813I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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