1,3,5,7,9-Pentakis(trifluoromethylsulfanyl)-1,3,5,7,9-pentazecane
Basic information
- CAS
81267-92-7- Standard SMILES
FC(F)(F)SN1CN(SC(F)(F)F)CN(SC(F)(F)F)CN(SC(F)(F)F)CN(SC(F)(F)F)C1- InChIKey
UONMWSOVDXTZNG-UHFFFAOYSA-N- Molecular formula
- C10H10F15N5S5
- Average molar mass
- 645.5 g/mol
- Monoisotopic mass
- 644.9300236
Names & identifiers
- Preferred name
- 1,3,5,7,9-Pentakis(trifluoromethylsulfanyl)-1,3,5,7,9-pentazecane
- IUPAC
- 1,3,5,7,9-pentakis(trifluoromethylsulfanyl)-1,3,5,7,9-pentazecane
Names & synonyms
81267-92-7NSC3673991,3,5,7,9-pentakis(trifluoromethylsulfanyl)-1,3,5,7,9-pentazecaneDTXSID60320978NSC-3673991,3,5,7,9-Pentakis[(trifluoromethyl)sulfanyl]-1,3,5,7,9-pentazecane
Database identifiers
- CAS
81267-92-7- PubChem CID
- 339699
- DTXSID
DTXSID60320978
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 505
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Related reactions
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Compound notes
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