Basic information
- CAS
445383-93-7- Standard SMILES
CC(C)CCSc1nc(-c2cccs2)ccc1C#N- InChIKey
WIFARODEZYFZSU-UHFFFAOYSA-N- Molecular formula
- C15H16N2S2
- Average molar mass
- 288.4 g/mol
Names & identifiers
- Preferred name
- 2-(Isopentylsulfanyl)-6-(2-thienyl)nicotinonitrile
- IUPAC
- 2-(3-methylbutylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
- English name
- 2-(isopentylsulfanyl)-6-(2-thienyl)nicotinonitrile
- Molecular formula
- C15H16N2S2
- Molecular weight
- 288.43
Names & synonyms
2-(isopentylsulfanyl)-6-(2-thienyl)nicotinonitrile445383-93-72-(3-methylbutylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrileHMS1596K04STK843044AKOS003681242ST071539AM-807/149560162-(isopentylthio)-6-(thiophen-2-yl)nicotinonitrile2-(3-methylbutylthio)-6-(2-thienyl)pyridine-3-carbonitrile2-[(3-methylbutyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile3-Pyridinecarbonitrile, 2-[(3-methylbutyl)thio]-6-(2-thienyl)-
Database identifiers
- CAS
445383-93-7
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 433.4 · 433.4±45.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- -0.98 · -0.98±0.29(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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