6-(Difluoromethyl)-2-thioxo-4-(p-tolyl)-1,2-dihydropyridine-3-carbonitrile
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Basic information
- CAS
832737-93-6- Standard SMILES
Cc1ccc(-c2cc(C(F)F)[nH]c(=S)c2C#N)cc1- InChIKey
SRMMDDSPPMOHTC-UHFFFAOYSA-N- Molecular formula
- C14H10F2N2S
- Average molar mass
- 276.31 g/mol
- Monoisotopic mass
- 276.05327583
Names & identifiers
- Preferred name
- 6-(Difluoromethyl)-2-thioxo-4-(p-tolyl)-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 6-(difluoromethyl)-4-(4-methylphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
- English name
- 6-(difluoromethyl)-4-(4-methylphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
- Molecular formula
- C14H10F2N2S
- Molecular weight
- 276.3
Names & synonyms
832737-93-66-(Difluoromethyl)-2-thioxo-4-(p-tolyl)-1,2-dihydropyridine-3-carbonitrile6-(difluoromethyl)-4-(4-methylphenyl)-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile6-(difluoromethyl)-4-(4-methylphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile6-(Difluoromethyl)-2-mercapto-4-(p-tolyl)nicotinonitrile6-(difluoromethyl)-4-(p-tolyl)-2-thioxo-1H-pyridine-3-carbonitrileMFCD03420199SBB020964STK312458AKOS000305514AKOS0003081526-(difluoromethyl)-4-(4-methylphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Show more names
3-Pyridinecarbonitrile, 6-(difluoromethyl)-1,2-dihydro-4-(4-methylphenyl)-2-thioxo-
CS-0281266EN300-2287376-(difluoromethyl)-4-(4-methylphenyl)-2-thioxohydropyridine-3-carbonitrile6-Difluoromethyl-2-thioxo-4-p-tolyl-1,2-dihydro-pyridine-3-carbonitrile
Database identifiers
- CAS
832737-93-6- PubChem CID
- 7015915
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 350.4 · 350.4±52.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 5.53 · 5.53±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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