Basic information
- CAS
352333-50-7- Standard SMILES
CCC1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1- InChIKey
YLRVUIQUALNUEM-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS2
- Average molar mass
- 342.5 g/mol
Names & identifiers
- Preferred name
- 7-ethyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 7-ethyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 7-ethyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C18H18N2OS2
- Molecular weight
- 342.48
Names & synonyms
7-ethyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one352333-50-77-ethyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-oneOprea1_132314STK733355AKOS003240979AKOS022143427AG-205/326200257-ethyl-2-mercapto-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one7-ethyl-2-mercapto-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one7-Ethyl-2-mercapto-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-ethyl-2,3,5,6,7,8-hexahydro-3-phenyl-2-thioxo-
Database identifiers
- CAS
352333-50-7
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 530.2 · 530.2±60.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 11.11 · 11.11±0.40(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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