Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
Basic information
- CAS
81021-98-9- Standard SMILES
CCOC(=O)c1nc2sc3ccccc3n2c1Br- InChIKey
UQCUASPPDUUVPX-UHFFFAOYSA-N- Molecular formula
- C12H9BrN2O2S
- Average molar mass
- 325.18 g/mol
- Monoisotopic mass
- 323.95681
Names & identifiers
- Preferred name
- Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
- IUPAC
- ethyl 1-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
- English name
- Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
- Molecular formula
- C12H9BrN2O2S
- Molecular weight
- 325.18
Names & synonyms
81021-98-9ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylateethyl 1-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylateMFCD03305747ethyl 3-bromo-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene-4-carboxylateC12H9BrN2O2SDTXSID001210301AKOS0051001757T-0129Ethyl 3-bromoimidazo[2,1-b]benzothiazole-2-carboxylateEthyl 3-bromobenzo[d]imidazo[2,1-b]thiazole-2-carboxylateethyl3-bromo-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene-4-carboxylate
Show more names
Imidazo[2,1-b]benzothiazole-2-carboxylic acid, 3-bromo-, ethyl ester
Database identifiers
- CAS
81021-98-9- PubChem CID
- 1485482
- DTXSID
DTXSID001210301
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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