Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
Basic information
- CAS
136427-69-5- Standard SMILES
COC(=O)c1cc(C=O)c2sc3ccccc3n12- InChIKey
QFKKKSBJQJKZIG-UHFFFAOYSA-N- Molecular formula
- C13H9NO3S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.03031432
Names & identifiers
- Preferred name
- Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
- IUPAC
- methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
- English name
- CHEMBRDG-BB 6369811
- Molecular formula
- C13H9NO3S
- Molecular weight
- 259.28
Names & synonyms
136427-69-5methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylateMethyl 3-formylbenzo[d]pyrrolo[2,1-b]thiazole-1-carboxylateMFCD02638056Methyl3-formylbenzo[d]pyrrolo[2,1-b]thiazole-1-carboxylateMethyl3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylateOprea1_718138DTXSID70358207AKOS022184438Pyrrolo[2,1-b]benzothiazole-1-carboxylic acid, 3-formyl-, methyl esterBS-35680DB-198724
Show more names
CHEMBRDG-BB 6369811methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate(SALTDATA: FREE)
F314911SR-01000232804SR-01000232804-1
Database identifiers
- CAS
136427-69-5- PubChem CID
- 880940
- DTXSID
DTXSID70358207
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-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
- P261-P302+P352-P304+P340-P305+P351+P338
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Related reactions
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Compound notes
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