2-(Ethylthio)pyrazolo[1,5-a]pyrimidin-5(4H)-one
Basic information
- CAS
197367-82-1- Standard SMILES
CCSc1cc2[nH]c(=O)ccn2n1- InChIKey
NWSJRDSNXXISDF-UHFFFAOYSA-N- Molecular formula
- C8H9N3OS
- Average molar mass
- 195.24 g/mol
- Monoisotopic mass
- 195.04663309
Names & identifiers
- Preferred name
- 2-(Ethylthio)pyrazolo[1,5-a]pyrimidin-5(4H)-one
- IUPAC
- 2-ethylsulfanyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
Names & synonyms
SCHEMBL7717843SCHEMBL7717845DTXSID8012444172-(Ethylthio)pyrazolo[1,5-a]pyrimidin-5(4H)-one2-(Ethylsulfanyl)pyrazolo[1,5-a]pyrimidin-5(4H)-one197367-82-1
Database identifiers
- CAS
197367-82-1- PubChem CID
- 136458971
- DTXSID
DTXSID801244417
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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