Basic information
- Standard SMILES
N#CSCC(=O)c1cccc(F)c1- InChIKey
WXSRKWJIRXOJIE-UHFFFAOYSA-N- Molecular formula
- C9H6FNOS
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.01541315
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)-2-oxoethyl thiocyanate
- IUPAC
- [2-(3-fluorophenyl)-2-oxoethyl] thiocyanate
Names & synonyms
SCHEMBL3760982WXSRKWJIRXOJIE-UHFFFAOYSA-N2-(3-Fluorophenyl)-2-oxoethyl thiocyanate
Database identifiers
- PubChem CID
- 86245147
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Related reactions
3 records
Compound notes
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