4-Methyl-6-phenyl-6H-pyrazolo[4,3-d]isothiazole
Basic information
- CAS
62947-14-2- Standard SMILES
Cc1nn(-c2ccccc2)c2sncc12- InChIKey
KFKACXDRAQUVSD-UHFFFAOYSA-N- Molecular formula
- C11H9N3S
- Average molar mass
- 215.28 g/mol
- Monoisotopic mass
- 215.05171847
Names & identifiers
- Preferred name
- 4-Methyl-6-phenyl-6H-pyrazolo[4,3-d]isothiazole
- IUPAC
- 4-methyl-6-phenylpyrazolo[4,5-d][1,2]thiazole
Names & synonyms
62947-14-24-Methyl-6-phenyl-6H-pyrazolo[4,3-d]isothiazoleST50989285CHEMBL5488325DTXSID80400387AKOS0243597094-methyl-6-phenylpyrazolo[4,5-d]isothiazole4-Methyl-6-phenyl-6H-pyrazolo[4,3-d][1,2]thiazole
Database identifiers
- CAS
62947-14-2- PubChem CID
- 4180992
- DTXSID
DTXSID80400387- ChEMBL
CHEMBL5488325
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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