Basic information
- CAS
314032-56-9- Standard SMILES
C=CCc1c(O)nc2n(c1=O)CCCS2- InChIKey
PZQMRPUODROMET-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2S
- Average molar mass
- 224.28 g/mol
Names & identifiers
- Preferred name
- 7-allyl-6-hydroxy-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one
- IUPAC
- 8-hydroxy-7-prop-2-enyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
- English name
- 7-allyl-6-hydroxy-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one
- Molecular formula
- C10H12N2O2S
- Molecular weight
- 224.28
Names & synonyms
314032-56-97-allyl-6-hydroxy-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one7-allyl-8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-oneChemDiv2_003242Oprea1_012819Oprea1_742936AG-670/34262038HMS1378D08STK535022AKOS005466352DB-338448EU-0034762
Show more names
AG-670/367650367-allyl-6-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-8(2H)-one6-hydroxy-7-(prop-2-en-1-yl)-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one8-hydroxy-7-prop-2-enyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one2H,6H-PYRIMIDO[2,1-B][1,3]THIAZIN-6-ONE, 3,4-DIHYDRO-8-HYDROXY-7-(2-PROPEN-1-YL)-
Database identifiers
- CAS
314032-56-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 362.423 · 362.423±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.399 · 1.399±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.5 · 4.500±1.00(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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