N-(2-benzylideneheptylideneamino)-6-chloro-2-methylsulfanylpyrimidin-4-amine
Basic information
- CAS
339017-99-1- Standard SMILES
CCCCCC(C=NNc1cc(Cl)nc(SC)n1)=Cc1ccccc1- InChIKey
STSNKSVSBDQAOI-UHFFFAOYSA-N- Molecular formula
- C19H23ClN4S
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 374.1331956
Names & identifiers
- Preferred name
- N-(2-benzylideneheptylideneamino)-6-chloro-2-methylsulfanylpyrimidin-4-amine
- IUPAC
- N-(2-benzylideneheptylideneamino)-6-chloro-2-methylsulfanylpyrimidin-4-amine
- English name
- 2-PENTYL-3-PHENYLACRYLALDEHYDE N-[6-CHLORO-2-(METHYLSULFANYL)-4-PYRIMIDINYL]HYDRAZONE
- Molecular formula
- C19H23ClN4S
- Molecular weight
- 374.93
Names & synonyms
Heptanal, 2-(phenylmethylene)-, 2-[6-chloro-2-(methylthio)-4-pyrimidinyl]hydrazone2-PENTYL-3-PHENYLACRYLALDEHYDE N-[6-CHLORO-2-(METHYLSULFANYL)-4-PYRIMIDINYL]HYDRAZONE4-chloro-2-(methylsulfanyl)-6-[(E)-2-[(2Z)-2-(phenylmethylidene)heptylidene]hydrazin-1-yl]pyrimidine
Database identifiers
- CAS
339017-99-1- PubChem CID
- 5197843
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Boiling point
- 525.1 · 525.1±50.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 11.31 · 11.31±0.10(Predicted)
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Compound notes
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