Basic information
- CAS
28469-13-8- Standard SMILES
CCNc1cnn(-c2nc3ccccc3s2)c1- InChIKey
YJOASJHQDQRCHO-UHFFFAOYSA-N- Molecular formula
- C12H12N4S
- Average molar mass
- 244.32 g/mol
- Monoisotopic mass
- 244.07826757
Names & identifiers
- Preferred name
- Benzothiazole, 2-(4-(ethylamino)-1-pyrazolyl)-
- IUPAC
- 1-(1,3-benzothiazol-2-yl)-N-ethylpyrazol-4-amine
- English name
- 2-[4-(Ethylamino)-1H-pyrazol-1-yl]benzothiazole
- Molecular formula
- C12H12N4S
- Molecular weight
- 244.32
Names & synonyms
BENZOTHIAZOLE, 2-(4-(ETHYLAMINO)-1-PYRAZOLYL)-28469-13-8BRN 09964732-(4-(Ethylamino)-1-pyrazolyl)benzothiazoleDTXSID10182705RefChem:328189DTXCID101051961-(1,3-benzothiazol-2-yl)-N-ethylpyrazol-4-amine1-(1,3-benzothiazol-2-yl)-N-ethyl-1H-pyrazol-4-amine2-[4-(Ethylamino)-1H-pyrazol-1-yl]benzothiazole1H-Pyrazol-4-amine, 1-(2-benzothiazolyl)-N-ethyl-
Database identifiers
- CAS
28469-13-8- PubChem CID
- 34253
- DTXSID
DTXSID10182705- Nikkaji
- J65.535J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 455.8 · 455.8±37.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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