8-(4-methylsulfanylphenyl)-7H-purin-6-amine
Basic information
- CAS
42447-60-9- Standard SMILES
CSc1ccc(-c2nc3ncnc(N)c3[nH]2)cc1- InChIKey
ALZMLVYFWIDWQB-UHFFFAOYSA-N- Molecular formula
- C12H11N5S
- Average molar mass
- 257.32 g/mol
- Monoisotopic mass
- 257.07351655
Names & identifiers
- Preferred name
- 8-(4-methylsulfanylphenyl)-7H-purin-6-amine
- IUPAC
- 8-(4-methylsulfanylphenyl)-7H-purin-6-amine
Names & synonyms
8-(4-methylsulfanylphenyl)-7H-purin-6-amine42447-60-9NSC210296DTXSID50308866NSC-210296DS-0060278-[4-(Methylsulfanyl)phenyl]-7H-purin-6-amine
Database identifiers
- CAS
42447-60-9- PubChem CID
- 308491
- DTXSID
DTXSID50308866
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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