5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile
Basic information
- CAS
303146-27-2- Standard SMILES
CCCSc1nc(C)c(C(C)=O)cc1C#N- InChIKey
DSGTWNCLXNZODP-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.08268425
Names & identifiers
- Preferred name
- 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile
- IUPAC
- 5-acetyl-6-methyl-2-propylsulfanylpyridine-3-carbonitrile
- English name
- 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile
- Molecular formula
- C12H14N2OS
- Molecular weight
- 234.32
Names & synonyms
303146-27-25-acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile5-acetyl-6-methyl-2-(propylsulfanyl)pyridine-3-carbonitrileMFCD007931735-acetyl-6-methyl-2-propylsulfanylpyridine-3-carbonitrile5-acetyl-6-methyl-2-(propylthio)nicotinonitrileMLS000540298CHEMBL1382375DTXSID501207313HMS2280A16AKOS00507793511K-304S
Show more names
3-Pyridinecarbonitrile, 5-acetyl-6-methyl-2-(propylthio)-
SMR000125556CS-03052285-Acetyl-6-methyl-2-(propylthio)-3-pyridinecarbonitrileZ2284484385-acetyl-6-methyl-2-propylsulfanyl-pyridine-3-carbonitrile
Database identifiers
- CAS
303146-27-2- PubChem CID
- 2767378
- DTXSID
DTXSID501207313- ChEMBL
CHEMBL1382375
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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