5-Nitrothiophene-2-carboxamide
Basic information
- CAS
5832-00-8- Standard SMILES
NC(=O)c1ccc([N+](=O)[O-])s1- InChIKey
KOSBXZHFWKTMLO-UHFFFAOYSA-N- Molecular formula
- C5H4N2O3S
- Average molar mass
- 172.16 g/mol
- Monoisotopic mass
- 171.99426317
Names & identifiers
- Preferred name
- 5-Nitrothiophene-2-carboxamide
- IUPAC
- 5-nitrothiophene-2-carboxamide
- English name
- 5-Nitrothiophene-2-carboxamide
- Molecular formula
- C5H4N2O3S
- Molecular weight
- 172.16
Names & synonyms
5-Nitrothiophene-2-carboxamide5832-00-85-Nitro-thiophene-2-carboxamideDTXSID10310905RefChem:304471DTXCID10262031KOSBXZHFWKTMLO-UHFFFAOYSA-NMFCD01434331NSC234194SCHEMBL21182845-Nitro-2-thiophenecarboxamide #CCG-1823
Show more names
5-Nitro-2-thiophenecarboxamide2-Thiophenecarboxamide, 5-nitro-
SBB088616STA030829AKOS008937555NSC-234194
Database identifiers
- CAS
5832-00-8- PubChem CID
- 314710
- DTXSID
DTXSID10310905- Nikkaji
- J344.086I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 185 · 185-187 °C
- Boiling point
- 334.2 · 334.2±22.0 °C(Predicted)
- Density
- 1.572 · 1.572±0.06 g/cm3(Predicted)
- pka
- 14.86 · 14.86±0.50(Predicted)
Related reactions
4 records
Compound notes
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