1-Methyl-4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Basic information
- CAS
70011-76-6- Standard SMILES
CSc1nc(SC)c2cnn(C)c2n1- InChIKey
GKDALGXZEYMSLQ-UHFFFAOYSA-N- Molecular formula
- C8H10N4S2
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.03468868
Names & identifiers
- Preferred name
- 1-Methyl-4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 1-methyl-4,6-bis(methylsulfanyl)pyrazolo[5,4-d]pyrimidine
Names & synonyms
70011-76-61-Methyl-4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidine1-methyl-4,6-bis(methylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidineNSC78741-methyl-4,6-bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidineDTXSID20278522NSC-7874
Database identifiers
- CAS
70011-76-6- PubChem CID
- 222255
- DTXSID
DTXSID20278522- Nikkaji
- J246.513B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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