6,8,8-Trimethylpyrimido[2,1-b][1,3]thiazin-4-one
Basic information
- CAS
810637-71-9- Standard SMILES
CC1=CC(C)(C)N=C2SC=CC(=O)N12- InChIKey
OFUXVRTZRSUBDC-UHFFFAOYSA-N- Molecular formula
- C10H12N2OS
- Average molar mass
- 208.28 g/mol
Names & identifiers
- Preferred name
- 6,8,8-Trimethylpyrimido[2,1-b][1,3]thiazin-4-one
- IUPAC
- 6,8,8-trimethylpyrimido[2,1-b][1,3]thiazin-4-one
- English name
- 4H,?8H-?Pyrimido[2,?1-?b]?[1,?3]?thiazin-?4-?one, 6,?8,?8-?trimethyl-
- Molecular formula
- C10H12N2OS
- Molecular weight
- 208.28
Names & synonyms
AKOS0028218914H,8H-Pyrimido[2,1-b][1,3]thiazin-4-one, 6,8,8-trimethyl-
Database identifiers
- CAS
810637-71-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 307.5 · 307.5±35.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- -1.04 · -1.04±0.60(Predicted)
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Compound notes
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