N-(4-methoxyphenyl)-N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}amine
Basic information
- CAS
306980-23-4- Standard SMILES
COc1ccc(N/C=C/c2nc(SC)nnc2C)cc1- InChIKey
OKQCUJDGJXQYDB-CMDGGOBGSA-N- Molecular formula
- C14H16N4OS
- Average molar mass
- 288.37 g/mol
- Monoisotopic mass
- 288.10448232
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}amine
- IUPAC
- 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
- English name
- 4-Methoxy-N-(2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl)aniline
- Molecular formula
- C14H16N4OS
- Molecular weight
- 288.37
Names & synonyms
306980-23-4N-(4-methoxyphenyl)-N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}amine4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline4-methoxy-N-[(E)-2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]ethenyl]aniline4-Methoxy-N-{(E)-2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]ethenyl}anilineCHEMBL1505610DTXSID201323132HMS2646K18AKOS00508039112K-374S4-Methoxy-N-(2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl)anilineBenzenamine, 4-methoxy-N-[2-[6-methyl-3-(methylthio)-1,2,4-triazin-5-yl]ethenyl]-
Show more names
N-(4-METHOXYPHENYL)-N-(2-[6-METHYL-3-(METHYLSULFANYL)-1,2,4-TRIAZIN-5-YL]VINYL)AMINE
Database identifiers
- CAS
306980-23-4- PubChem CID
- 6409765
- DTXSID
DTXSID201323132- ChEMBL
CHEMBL1505610
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility1.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 506.3 · 506.3±60.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 1 · 1+-.0.63(Predicted)
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Compound notes
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