Methyl 4-(acetylamino)-2-methyl-3-thiophenecarboxylate
Basic information
- CAS
637336-48-2- Standard SMILES
COC(=O)c1c(NC(C)=O)csc1C- InChIKey
ZQGQRCPDMRAGGC-UHFFFAOYSA-N- Molecular formula
- C9H11NO3S
- Average molar mass
- 213.26 g/mol
- Monoisotopic mass
- 213.04596439
Names & identifiers
- Preferred name
- Methyl 4-(acetylamino)-2-methyl-3-thiophenecarboxylate
- IUPAC
- methyl 4-acetamido-2-methylthiophene-3-carboxylate
Names & synonyms
637336-48-2Methyl 4-(acetylamino)-2-methyl-3-thiophenecarboxylateRefChem:355410Maybridge3_001603methyl 4-acetamido-2-methylthiophene-3-carboxylateMLS000851506SCHEMBL3980819CHEMBL1501251methyl 4-(acetylamino)-2-methylthiophene-3-carboxylateZQGQRCPDMRAGGC-UHFFFAOYSA-NDTXSID701210764HMS1435I19
Show more names
HMS2795P07CCG-52360IDI1_012990SMR000457949SR-01000641601-14-acetylamino-2-methyl-thiophene-3-carboxylic acid methyl ester
Database identifiers
- CAS
637336-48-2- PubChem CID
- 2808345
- DTXSID
DTXSID701210764- ChEMBL
CHEMBL1501251
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
Solubility29.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
2 records
Compound notes
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