Basic information
- CAS
91540-50-0- Standard SMILES
CC(C)n1cccc(C#N)c1=S- InChIKey
OTZSVAGTKRNRGF-UHFFFAOYSA-N- Molecular formula
- C9H10N2S
- Average molar mass
- 178.26 g/mol
- Monoisotopic mass
- 178.0564695
Names & identifiers
- Preferred name
- 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile
- IUPAC
- 1-propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile
Names & synonyms
NSC36428191540-50-0DTXSID70320782NSC-3642811-(Propan-2-yl)-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
91540-50-0- PubChem CID
- 339152
- DTXSID
DTXSID70320782
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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