Ethyl 5-nitro-2-(propanoylamino)thiophene-3-carboxylate
Basic information
- CAS
477490-66-7- Standard SMILES
CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)CC- InChIKey
KQQFAYFEDBTVKW-UHFFFAOYSA-N- Molecular formula
- C10H12N2O5S
- Average molar mass
- 272.28 g/mol
- Monoisotopic mass
- 272.04669266
Names & identifiers
- Preferred name
- Ethyl 5-nitro-2-(propanoylamino)thiophene-3-carboxylate
- IUPAC
- ethyl 5-nitro-2-(propanoylamino)thiophene-3-carboxylate
Names & synonyms
477490-66-7ethyl 5-nitro-2-propanamidothiophene-3-carboxylateethyl 5-nitro-2-(propanoylamino)thiophene-3-carboxylateethyl 5-nitro-2-propionamidothiophene-3-carboxylateF0806-0090Oprea1_528672MLS000679030CHEMBL1483705DTXSID101330574HMS2732P15SMSSF-0060876AKOS024600172
Show more names
SMR000323429ethyl 5-nitro-2-propionylamino-3-thenoateAB00611645-02SR-01000009212SR-01000009212-1
Database identifiers
- CAS
477490-66-7- PubChem CID
- 7121685
- DTXSID
DTXSID101330574- ChEMBL
CHEMBL1483705
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
Solubility5.3 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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