1H-Pyrrole, 2-[(trifluoromethyl)thio]-
Basic information
- CAS
62665-27-4- Standard SMILES
FC(F)(F)Sc1ccc[nH]1- InChIKey
NFKQNENSDPVROC-UHFFFAOYSA-N- Molecular formula
- C5H4F3NS
- Average molar mass
- 167.15 g/mol
- Monoisotopic mass
- 167.00165479
Names & identifiers
- Preferred name
- 1H-Pyrrole, 2-[(trifluoromethyl)thio]-
- IUPAC
- 2-(trifluoromethylsulfanyl)-1H-pyrrole
Names & synonyms
1H-Pyrrole, 2-[(trifluoromethyl)thio]-62665-27-42-[(Trifluoromethyl)sulfanyl]-1H-pyrroleSCHEMBL10382746DTXSID70500784NFKQNENSDPVROC-UHFFFAOYSA-N
Database identifiers
- CAS
62665-27-4- PubChem CID
- 12508313
- DTXSID
DTXSID70500784- Nikkaji
- J3.521.959E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…