Basic information
- CAS
565-31-1- Standard SMILES
CC1(c2ccc(F)cc2)SCCS1- InChIKey
OMBQOFRGXONJGP-UHFFFAOYSA-N- Molecular formula
- C10H11FS2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.02862086
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(p-fluorophenyl)-2-methyl-
- IUPAC
- 2-(4-fluorophenyl)-2-methyl-1,3-dithiolane
Names & synonyms
BRN 01462021,3-DITHIOLANE, 2-(p-FLUOROPHENYL)-2-METHYL-565-31-12-(p-Fluorophenyl)-2-methyl-1,3-dithiolaneDTXSID902050424-19-00-00223 (Beilstein Handbook Reference)RefChem:219182DTXCID901275332-(4-fluorophenyl)-2-methyl-1,3-dithiolane
Database identifiers
- CAS
565-31-1- PubChem CID
- 11258
- DTXSID
DTXSID90205042- Nikkaji
- J91.163A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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