Methyl 2-acetamidothiophene-3-carboxylate
Basic information
- CAS
22288-81-9- Standard SMILES
COC(=O)c1ccsc1NC(C)=O- InChIKey
MLAPMAXKPXBHKO-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.03031432
Names & identifiers
- Preferred name
- Methyl 2-acetamidothiophene-3-carboxylate
- IUPAC
- methyl 2-acetamidothiophene-3-carboxylate
- English name
- 2-(Acetylamino)-3-thiophenecarboxylicacidmethylester
- Molecular formula
- C8H9NO3S
- Molecular weight
- 199.23
Names & synonyms
22288-81-9methyl 2-acetamidothiophene-3-carboxylatemethyl 2-(acetylamino)-3-thiophenecarboxylateMFCD00728968methyl 2-(acetylamino)thiophene-3-carboxylateSCHEMBL11578842DTXSID10384580MLAPMAXKPXBHKO-UHFFFAOYSA-NCCG-52999SBB092468AKOS000281904methyl2-acetamidothiophene-3-carboxylate
Show more names
3-Thiophenecarboxylic acid, 2-(acetylamino)-, methyl ester
Methyl-2-acetamido-3-thiophenecarboxylatemethyl 2-acetamidothiophene-3 -carboxylateDB-050641CS-00358534N-802methyl 2-(acetylamino)-3-thiophene carboxylateW13080AI-942/25034563
Database identifiers
- CAS
22288-81-9- PubChem CID
- 2808565
- DTXSID
DTXSID10384580
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 103 · 103-105°
- Boiling point
- 391.7 · 391.7±27.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.28 · 14.28±0.70(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
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Related reactions
8 records
Compound notes
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