Basic information
- Standard SMILES
C[n+]1cccc(-c2nsnc2SCCCCCC#N)c1.[I-]- InChIKey
INJWBNOQVNVRFR-UHFFFAOYSA-M- Molecular formula
- C14H17IN4S2
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 431.99394
Names & identifiers
- Preferred name
- 3-(3-(5-Cyanopentylthio)-1,2,5-thiadiazol-4-yl)-1-methylpyridinium iodide
- IUPAC
- 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile iodide
Names & synonyms
SCHEMBL7469363INJWBNOQVNVRFR-UHFFFAOYSA-M3-(3-(5-Cyanopentylthio)-1,2,5-thiadiazol-4-yl)-1-methylpyridinium iodide3-(3-(5--Cyanopentylthio)-1,2,5-thiadiazol-4-yl)-1-methylpyridinium iodide3-(3-(5-Cyanopentylthio)-1,2,5-thiadiazol-4-yl)- 1-methylpyridinium iodide
Database identifiers
- PubChem CID
- 19612552
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Related reactions
14 records
Compound notes
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