[[5-(3-Nitrophenyl)furan-2-yl]methylideneamino]thiourea
Basic information
- CAS
22649-15-6- Standard SMILES
NC(=S)NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1- InChIKey
QXBHVMNLTVALLC-UHFFFAOYSA-N- Molecular formula
- C12H10N4O3S
- Average molar mass
- 290.3 g/mol
Names & identifiers
- Preferred name
- [[5-(3-Nitrophenyl)furan-2-yl]methylideneamino]thiourea
- IUPAC
- [[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
- English name
- (2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazinecarbothioamide
- Molecular formula
- C12H10N4O3S
- Molecular weight
- 290.3
Names & synonyms
HMS2189H075-(3-NITROPHENYL)-2-FURALDEHYDE THIOSEMICARBAZONEHydrazinecarbothioamide, 2-[[5-(3-nitrophenyl)-2-furanyl]methylene]-(2E)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazinecarbothioamide
Database identifiers
- CAS
22649-15-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 495.7 · 495.7±55.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 11.22 · 11.22±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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