Basic information
- CAS
496799-75-8- Standard SMILES
CN(C)CCOC(=O)c1cccs1- InChIKey
ITFVYRDODSBYIW-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.06669983
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl thiophene-2-carboxylate
- IUPAC
- 2-(dimethylamino)ethyl thiophene-2-carboxylate
- English name
- 2-Thiophenecarboxylicacid,2-(dimethylamino)ethylester(9CI)
- Molecular formula
- C9H13NO2S
- Molecular weight
- 199.27
Names & synonyms
496799-75-82-(dimethylamino)ethyl thiophene-2-carboxylateBAS 03335140DTXSID80357125STK000588AKOS0006503742-Thiophenecarboxylic acid, 2-(dimethylamino)ethyl ester2-Thiophenecarboxylicacid,2-(dimethylamino)ethylester(9CI)
Database identifiers
- CAS
496799-75-8- PubChem CID
- 844444
- DTXSID
DTXSID80357125
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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