6-Ethyl-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-3-carbonitrile
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Basic information
- CAS
369611-10-9- Standard SMILES
CCN1CCc2[nH]c(=S)c(C#N)cc2C1- InChIKey
PTTIJZCDPXWXEG-UHFFFAOYSA-N- Molecular formula
- C11H13N3S
- Average molar mass
- 219.31 g/mol
- Monoisotopic mass
- 219.0830186
Names & identifiers
- Preferred name
- 6-Ethyl-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-3-carbonitrile
- IUPAC
- 6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
- English name
- 6-ethyl-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-3-carbonitrile
- Molecular formula
- C11H13N3S
- Molecular weight
- 219.31
Names & synonyms
6-ethyl-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-3-carbonitrile6-ethyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile369611-10-9AK-777/11656001AKOS004123272ST0719226-ethyl-2-thioxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile6-ethyl-2-thioxo-1,5,6,7,8-pentahydropyridino[3,2-c]pyridine-3-carbonitrile1,6-Naphthyridine-3-carbonitrile, 6-ethyl-1,2,5,6,7,8-hexahydro-2-thioxo-
Database identifiers
- CAS
369611-10-9- PubChem CID
- 912904
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 397.3 · 397.3±52.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 6.67 · 6.67±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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