Basic information
- CAS
146795-29-1- Standard SMILES
Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1- InChIKey
ZIMGPWRPNIEXDX-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3S
- Average molar mass
- 262.29 g/mol
- Monoisotopic mass
- 262.04121336
Names & identifiers
- Preferred name
- 3-Thiophenecarboxamide, N-(4-methylphenyl)-5-nitro-
- IUPAC
- N-(4-methylphenyl)-5-nitrothiophene-3-carboxamide
Names & synonyms
CCRIS 6453N-(4-Methylphenyl)-5-nitro-3-thiophenecarboxamide3-Thiophenecarboxamide, N-(4-methylphenyl)-5-nitro-146795-29-1DTXSID70163479RefChem:282767DTXCID3085970N-(4-methylphenyl)-5-nitrothiophene-3-carboxamide
Database identifiers
- CAS
146795-29-1- PubChem CID
- 154609
- DTXSID
DTXSID70163479
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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