(6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol
Basic information
- CAS
4460-08-6- Standard SMILES
CSc1ncnc2nc(C(O)c3ccccc3)[nH]c12- InChIKey
YDPUBZKHLHSVKI-UHFFFAOYSA-N- Molecular formula
- C13H12N4OS
- Average molar mass
- 272.33 g/mol
- Monoisotopic mass
- 272.07318219
Names & identifiers
- Preferred name
- (6-(Methylthio)-9H-purin-8-yl)(phenyl)methanol
- IUPAC
- (6-methylsulfanyl-7H-purin-8-yl)-phenylmethanol
Names & synonyms
(6-(Methylthio)-9H-purin-8-yl)(phenyl)methanolNSC 824494460-08-6NSC82449NCIOpen2_004423NSC-82449(6-methylsulfanyl-9H-purin-8-yl)-phenyl-methanol
Database identifiers
- CAS
4460-08-6- PubChem CID
- 494046
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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