Basic information
- CAS
86919-62-2- Standard SMILES
CCC/C(=N\NC(=S)N1CCCCCC1)c1ccccn1- InChIKey
YKFJXGTVWCAWFZ-OBGWFSINSA-N- Molecular formula
- C16H24N4S
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.17216796
Names & identifiers
- Preferred name
- 1H-Azepine-1-carbothioic acid, [1-(2-pyridinyl)butylidene]hydrazide
- IUPAC
- N-[(E)-1-pyridin-2-ylbutylideneamino]azepane-1-carbothioamide
Names & synonyms
86919-62-2NSC335790NSC-3357901H-Azepine-1-carbothioic acid, [1-(2-pyridinyl)butylidene]hydrazide
Database identifiers
- CAS
86919-62-2- PubChem CID
- 6090243
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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