1-[(Trifluoromethyl)sulfanyl]-1H-imidazole
Basic information
- CAS
112463-42-0- Standard SMILES
FC(F)(F)Sn1ccnc1- InChIKey
IPVAKUZNGZCLSZ-UHFFFAOYSA-N- Molecular formula
- C4H3F3N2S
- Average molar mass
- 168.14 g/mol
- Monoisotopic mass
- 167.99690376
Names & identifiers
- Preferred name
- 1-[(Trifluoromethyl)sulfanyl]-1H-imidazole
- IUPAC
- 1-(trifluoromethylsulfanyl)imidazole
Names & synonyms
112463-42-01-[(Trifluoromethyl)sulfanyl]-1H-imidazoleSCHEMBL26733205DTXSID30546986
Database identifiers
- CAS
112463-42-0- PubChem CID
- 13697282
- DTXSID
DTXSID30546986
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
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Related reactions
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Compound notes
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