N-(6-methylsulfanylpurin-9-yl)-1-phenylmethanimine
Basic information
- CAS
7144-16-3- Standard SMILES
CSc1ncnc2c1ncn2N=Cc1ccccc1- InChIKey
SBYXNJRNQKPRRJ-UHFFFAOYSA-N- Molecular formula
- C13H11N5S
- Average molar mass
- 269.33 g/mol
- Monoisotopic mass
- 269.07351655
Names & identifiers
- Preferred name
- N-(6-methylsulfanylpurin-9-yl)-1-phenylmethanimine
- IUPAC
- N-(6-methylsulfanylpurin-9-yl)-1-phenylmethanimine
Names & synonyms
7144-16-3DTXSID90991837N-[6-(Methylsulfanyl)-9H-purin-9-yl]-1-phenylmethanimine
Database identifiers
- CAS
7144-16-3- PubChem CID
- 252162
- DTXSID
DTXSID90991837
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…