4-(Methylsulfanyl)-1H-pyrazolo[3,4-b]pyridine
Basic information
- CAS
49834-66-4- Standard SMILES
CSc1ccnc2[nH]ncc12- InChIKey
XHTKCYURWROBCR-UHFFFAOYSA-N- Molecular formula
- C7H7N3S
- Average molar mass
- 165.22 g/mol
- Monoisotopic mass
- 165.03606841
Names & identifiers
- Preferred name
- 4-(Methylsulfanyl)-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 4-methylsulfanyl-1H-pyrazolo[3,4-b]pyridine
Names & synonyms
49834-66-44-(Methylthio)-1H-pyrazolo[3,4-b]pyridine4-(Methylsulfanyl)-1H-pyrazolo[3,4-b]pyridineNSC213283DTXSID503096711H-Pyrazolo[3, 4-(methylthio)-NSC-213283
Database identifiers
- CAS
49834-66-4- PubChem CID
- 310047
- DTXSID
DTXSID50309671
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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