Basic information
- CAS
724745-33-9- Standard SMILES
CCc1cc2c(=O)nc(SC)[nH]c2s1- InChIKey
UMSFICIFOLLTRV-UHFFFAOYSA-N- Molecular formula
- C9H10N2OS2
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.02345529
Names & identifiers
- Preferred name
- 6-Ethyl-2-(methylthio)thieno[2,3-d]pyrimidin-4(1H)-one
- IUPAC
- 6-ethyl-2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
- English name
- Thieno[2,3-d]pyrimidin-4(1H)-one, 6-ethyl-2-(methylthio)- (9CI)
- Molecular formula
- C9H10N2OS2
- Molecular weight
- 226.32
Names & synonyms
724745-33-96-Ethyl-2-(methylthio)thieno[2,3-d]pyrimidin-4(1H)-one6-ethyl-2-(methylsulfanyl)-1H,4H-thieno[2,3-d]pyrimidin-4-oneAKOS016387042AR-434/42807696Z8402577286-ethyl-2-(methylsulfanyl)thieno[2,3-d]pyrimidin-4(3H)-oneThieno[2,3-d]pyrimidin-4(1H)-one, 6-ethyl-2-(methylthio)-Thieno[2,3-d]pyrimidin-4(1H)-one, 6-ethyl-2-(methylthio)- (9CI)
Database identifiers
- CAS
724745-33-9- PubChem CID
- 852936
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 205 · 205-207 °C(Solv: ethanol (64-17-5))
- Boiling point
- 399.1 · 399.1±44.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -0.47 · -0.47±0.20(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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