2-[2-(Dimethylamino)vinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
Basic information
- CAS
339026-35-6- Standard SMILES
CN(C)C=Cc1nc(C(F)(F)F)c(C#N)s1- InChIKey
BHDFFHFUQCAESY-UHFFFAOYSA-N- Molecular formula
- C9H8F3N3S
- Average molar mass
- 247.24 g/mol
Names & identifiers
- Preferred name
- 2-[2-(Dimethylamino)vinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
- IUPAC
- 2-[2-(dimethylamino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
- English name
- 2-[2-(Dimethylamino)vinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
- Molecular formula
- C9H8F3N3S
- Molecular weight
- 247.24
Names & synonyms
2-[2-(dimethylamino)vinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile2-[2-(dimethylamino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrileBionet2_000303AKOS0302453475-Thiazolecarbonitrile, 2-[2-(dimethylamino)ethenyl]-4-(trifluoromethyl)-
Database identifiers
- CAS
339026-35-6
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 337.7 · 337.7±52.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 6.14 · 6.14±0.70(Predicted)
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Compound notes
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