1-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propan-2-one
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Basic information
- CAS
315685-40-6- Standard SMILES
CC(=O)CSc1ncnc2sc(C)c(C)c12- InChIKey
UKEZYAONMVQOEP-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.03910536
Names & identifiers
- Preferred name
- 1-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propan-2-one
- IUPAC
- 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-2-one
- English name
- 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetone
- Molecular formula
- C11H12N2OS2
- Molecular weight
- 252.36
Names & synonyms
1-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propan-2-one315685-40-61-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-2-oneAKOS000589777ST45314292ST50050905AF-399/15335191Z202302691-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)acetone1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetone2-Propanone, 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-
Database identifiers
- CAS
315685-40-6- PubChem CID
- 704077
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 413.1 · 413.1±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 1.06 · 1.06±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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