Basic information
- CAS
14080-54-7- Standard SMILES
c1ccc(Oc2ncnc3sccc23)cc1- InChIKey
AYOZUERHDBIGSH-UHFFFAOYSA-N- Molecular formula
- C12H8N2OS
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.03573406
Names & identifiers
- Preferred name
- 4-Phenoxythieno[2,3-d]pyrimidine
- IUPAC
- 4-phenoxythieno[2,3-d]pyrimidine
Names & synonyms
4-phenoxythieno[2,3-d]pyrimidine14080-54-7MLS001006703SCHEMBL3977779CHEMBL1533850AYOZUERHDBIGSH-UHFFFAOYSA-NDTXSID901327678HMS1784O21HMS2714A06AKOS001044295SMR000349620phenyl thieno[2,3-d]pyrimidin-4-yl ether
Show more names
AF-399/40806263Z31208578
Database identifiers
- CAS
14080-54-7- PubChem CID
- 710993
- DTXSID
DTXSID901327678- ChEMBL
CHEMBL1533850- Nikkaji
- J2.711.152A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Solubility25.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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