2-(9-Ethylthioxanthen-9-yl)propanedinitrile
Basic information
- CAS
52962-57-9- Standard SMILES
CCC1(C(C#N)C#N)c2ccccc2Sc2ccccc21- InChIKey
OGHHRZRFGCGKGJ-UHFFFAOYSA-N- Molecular formula
- C18H14N2S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.08776963
Names & identifiers
- Preferred name
- 2-(9-Ethylthioxanthen-9-yl)propanedinitrile
- IUPAC
- 2-(9-ethylthioxanthen-9-yl)propanedinitrile
Names & synonyms
52962-57-92-(9-ethylthioxanthen-9-yl)propanedinitrileNSC248883DTXSID90312008NSC-248883(9-Ethyl-9H-thioxanthen-9-yl)propanedinitrile
Database identifiers
- CAS
52962-57-9- PubChem CID
- 317348
- DTXSID
DTXSID90312008
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
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Related reactions
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Compound notes
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