N-(methylideneamino)-6-nitro-1,3-benzothiazol-2-amine
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Basic information
- CAS
90220-89-6- Standard SMILES
C=NNc1nc2ccc([N+](=O)[O-])cc2s1- InChIKey
QNNNMZPWHGGDLD-UHFFFAOYSA-N- Molecular formula
- C8H6N4O2S
- Average molar mass
- 222.23 g/mol
- Monoisotopic mass
- 222.02114662
Names & identifiers
- Preferred name
- N-(methylideneamino)-6-nitro-1,3-benzothiazol-2-amine
- IUPAC
- N-(methylideneamino)-6-nitro-1,3-benzothiazol-2-amine
- English name
- Formaldehyde, (6-nitro-2-benzothiazolyl)hydrazone (7CI)
- Molecular formula
- C8H6N4O2S
- Molecular weight
- 222.22
Names & synonyms
90220-89-6Formaldehyde, 2-(6-nitro-2-benzothiazolyl)hydrazoneFormaldehyde, (6-nitro-2-benzothiazolyl)hydrazone (7CI)
Database identifiers
- CAS
90220-89-6- PubChem CID
- 45077358
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 407.9 · 407.9±37.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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