Basic information
- CAS
66904-39-0- Standard SMILES
CCOC(=O)C(=O)Cc1nc2ccccc2s1- InChIKey
NGENAUZCHCXMIC-UHFFFAOYSA-N- Molecular formula
- C12H11NO3S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.04596439
Names & identifiers
- Preferred name
- Ethyl 3-(2-benzothiazolyl) pyruvate
- IUPAC
- ethyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoate
Names & synonyms
66904-39-0ethyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoateEthyl 3-(2-benzothiazolyl) pyruvateNSC38490MLS000736983Ethyl 3-(benzo[d]thiazol-2-yl)-2-oxopropanoateSCHEMBL7634005CHEMBL1529278DTXSID30284699HMS2772J24NSC-38490SMR000393941
Show more names
2-Benzothiazolepropanoic acid, ethyl esterDS-001113ethyl 3-benzothiazol-2-yl-2-oxo-propanoateAE-641/11815053
Database identifiers
- CAS
66904-39-0- PubChem CID
- 236243
- DTXSID
DTXSID30284699- ChEMBL
CHEMBL1529278- Nikkaji
- J502.427G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…