[5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate
Basic information
- CAS
70803-16-6- Standard SMILES
Cc1nn(C)c(NC(=O)c2ccccc2O)c1SC#N- InChIKey
SWVBMITVYINVKV-UHFFFAOYSA-N- Molecular formula
- C13H12N4O2S
- Average molar mass
- 288.33 g/mol
- Monoisotopic mass
- 288.06809681
Names & identifiers
- Preferred name
- [5-[(2-Hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate
- IUPAC
- [5-[(2-hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanate
Names & synonyms
70803-16-6NSC337245[5-[(2-hydroxybenzoyl)amino]-1,3-dimethylpyrazol-4-yl] thiocyanateDTXSID40318833NSC-3372455-(2-Hydroxybenzamido)-1,3-dimethyl-1H-pyrazol-4-yl thiocyanate
Database identifiers
- CAS
70803-16-6- PubChem CID
- 333697
- DTXSID
DTXSID40318833
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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