Basic information
- CAS
82654-94-2- Standard SMILES
N#CCCSc1ccccc1N=Cc1ccccc1O- InChIKey
KGSGHAXKDKKCTB-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- 3-[2-[(2-Hydroxyphenyl)methylideneamino]phenyl]sulfanylpropanenitrile
- IUPAC
- 3-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfanylpropanenitrile
Names & synonyms
82654-94-2NSC2703273-[2-[(2-Hydroxyphenyl)methylideneamino]phenyl]sulfanylpropanenitrileMaybridge1_006994HMS561F20DTXSID20424800NSC-2703273-[(2-{[(E)-(6-Oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)sulfanyl]propanenitrile
Database identifiers
- CAS
82654-94-2- PubChem CID
- 321011
- DTXSID
DTXSID20424800
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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