Basic information
- CAS
33360-27-9- Standard SMILES
Cc1nc2c(SCc3ccccc3)ncnc2o1- InChIKey
BKZKNSWMZNOMNS-UHFFFAOYSA-N- Molecular formula
- C13H11N3OS
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.06228316
Names & identifiers
- Preferred name
- 7-(Benzylsulfanyl)-2-methyl[1,3]oxazolo[5,4-d]pyrimidine
- IUPAC
- 7-benzylsulfanyl-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
Names & synonyms
33360-27-97-(benzylsulfanyl)-2-methyl[1,3]oxazolo[5,4-d]pyrimidineNSC137479DTXSID80300535Oxazolo[5,4-d]pyrimidine,2-methyl-7-[(phenylmethyl)thio]-NSC-137479DS-012115
Database identifiers
- CAS
33360-27-9- PubChem CID
- 283167
- DTXSID
DTXSID80300535
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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