Basic information
- CAS
83521-66-8- Standard SMILES
Fc1cccc(C2SCCS2)c1- InChIKey
FUDJVIHUQFREFW-UHFFFAOYSA-N- Molecular formula
- C9H9FS2
- Average molar mass
- 200.3 g/mol
- Monoisotopic mass
- 200.0129708
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(m-fluorophenyl)-
- IUPAC
- 2-(3-fluorophenyl)-1,3-dithiolane
Names & synonyms
1,3-DITHIOLANE, 2-(m-FLUOROPHENYL)-83521-66-8RefChem:10529392-(m-Fluorophenyl)-1,3-dithiolaneBRN 55131222-(3-fluorophenyl)-1,3-dithiolaneDTXSID901003496
Database identifiers
- CAS
83521-66-8- PubChem CID
- 55013
- DTXSID
DTXSID901003496- Nikkaji
- J91.161E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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