2,5-Bis[(trifluoromethyl)sulfanyl]-1H-pyrrole
Basic information
- CAS
62665-35-4- Standard SMILES
FC(F)(F)Sc1ccc(SC(F)(F)F)[nH]1- InChIKey
XJRJBVSFBVKPAJ-UHFFFAOYSA-N- Molecular formula
- C6H3F6NS2
- Average molar mass
- 267.2 g/mol
- Monoisotopic mass
- 266.96111042
Names & identifiers
- Preferred name
- 2,5-Bis[(trifluoromethyl)sulfanyl]-1H-pyrrole
- IUPAC
- 2,5-bis(trifluoromethylsulfanyl)-1H-pyrrole
Names & synonyms
2,5-Bis[(trifluoromethyl)sulfanyl]-1H-pyrrole62665-35-4SCHEMBL7872376DTXSID505007872,5-bis(trifluoromethylthio)pyrrole
Database identifiers
- CAS
62665-35-4- PubChem CID
- 12508316
- DTXSID
DTXSID50500787
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
1 records
Compound notes
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