4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
Basic information
- CAS
1001519-32-9- Standard SMILES
Cc1c(-c2cc(C(F)(F)F)[nH]c(=S)c2C#N)cnn1C- InChIKey
VSHSEVMTGLOVQR-UHFFFAOYSA-N- Molecular formula
- C12H9F3N4S
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.05000196
Names & identifiers
- Preferred name
- 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
- IUPAC
- 4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
- English name
- 4-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-2-MERCAPTO-6-TRIFLUOROMETHYL-NICOTINONITRILE
- Molecular formula
- C12H9F3N4S
- Molecular weight
- 298.29
Names & synonyms
1001519-32-94-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-trifluoromethyl-nicotinonitrileMFCD03422725SCHEMBL30945277DTXSID201116844SBB020960STK313282AKOS000305480CS-0279745
Show more names
AKOS B014720ART-CHEM-BB B0147203-Pyridinecarbonitrile, 4-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-dihydro-2-thioxo-6-(trifluoromethyl)-
EN300-2287344-(1,5-dimethylpyrazol-4-yl)-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonit rile4-(1,5-DIMETHYLPYRAZOL-4-YL)-2-SULFANYL-6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONITRILE4-(1,5-dimethylpyrazol-4-yl)-2-thioxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile4-(1,5-Dimethyl-1H-pyrazol-4-yl)-1,2-dihydro-2-thioxo-6-(trifluoromethyl)-3-pyridinecarbonitrile4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-sulfanylidene-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
1001519-32-9- PubChem CID
- 7019347
- DTXSID
DTXSID201116844
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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