4-(2-Fluoro-4-nitrophenoxy)-6-(methylsulfinyl)thieno[3,2-d]pyrimidine
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Basic information
- Standard SMILES
CS(=O)c1cc2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c2s1- InChIKey
WMUZHTCJZIGNDR-UHFFFAOYSA-N- Molecular formula
- C13H8FN3O4S2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 352.99402625
Names & identifiers
- Preferred name
- 4-(2-Fluoro-4-nitrophenoxy)-6-(methylsulfinyl)thieno[3,2-d]pyrimidine
- IUPAC
- 4-(2-fluoro-4-nitrophenoxy)-6-methylsulfinylthieno[3,2-d]pyrimidine
Names & synonyms
SCHEMBL3570185WMUZHTCJZIGNDR-UHFFFAOYSA-N4-(2-Fluoro-4-nitrophenoxy)-6-(methylsulfinyl)thieno[3,2-d]pyrimidine
Database identifiers
- PubChem CID
- 59424554
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
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Related reactions
8 records
Compound notes
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