4,4-Bis(ethylsulfonyl)heptanedinitrile
Basic information
- CAS
62943-41-3- Standard SMILES
CCS(=O)(=O)C(CCC#N)(CCC#N)S(=O)(=O)CC- InChIKey
BEXHEVPDSQMDPC-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4S2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.07079941
Names & identifiers
- Preferred name
- 4,4-Bis(ethylsulfonyl)heptanedinitrile
- IUPAC
- 4,4-bis(ethylsulfonyl)heptanedinitrile
Names & synonyms
62943-41-34,4-bis(ethylsulfonyl)heptanedinitrileNSC112805SCHEMBL22047369DTXSID802969444,4-Di(ethanesulfonyl)heptanedinitrileNSC-112805
Database identifiers
- CAS
62943-41-3- PubChem CID
- 270397
- DTXSID
DTXSID80296944
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 535
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Related reactions
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Compound notes
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