Basic information
- CAS
61766-76-5- Standard SMILES
Cc1ncnc2c1oc(=S)n2-c1ccccc1- InChIKey
SGYHPVMCXJCCSZ-UHFFFAOYSA-N- Molecular formula
- C12H9N3OS
- Average molar mass
- 243.29 g/mol
- Monoisotopic mass
- 243.04663309
Names & identifiers
- Preferred name
- 7-Methyl-3-phenyl[1,3]oxazolo[4,5-d]pyrimidine-2(3H)-thione
- IUPAC
- 7-methyl-3-phenyl-[1,3]oxazolo[4,5-d]pyrimidine-2-thione
Names & synonyms
61766-76-5DTXSID604945277-Methyl-3-phenyl[1,3]oxazolo[4,5-d]pyrimidine-2(3H)-thione
Database identifiers
- CAS
61766-76-5- PubChem CID
- 12366554
- DTXSID
DTXSID60494527
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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