2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
Basic information
- CAS
42826-28-8- Standard SMILES
CC(C)(C)C(=O)NN=Cc1ccc([N+](=O)[O-])s1- InChIKey
PMCDCKNQBMQKKD-UHFFFAOYSA-N- Molecular formula
- C10H13N3O3S
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.06776246
Names & identifiers
- Preferred name
- 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
- IUPAC
- 2,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
Names & synonyms
42826-28-8DTXSID409627192,2-dimethyl-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide2,2-Dimethyl-N-[(5-nitrothiophen-2-yl)methylidene]propanehydrazonic acidDS-003475
Database identifiers
- CAS
42826-28-8- PubChem CID
- 285585
- DTXSID
DTXSID40962719
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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