Basic information
- CAS
353-17-3- Standard SMILES
N#CSCCCCF- InChIKey
WJNNTTIXPJJQJD-UHFFFAOYSA-N- Molecular formula
- C5H8FNS
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.0361486
Names & identifiers
- Preferred name
- 4-Fluorobutyl thiocyanate
- IUPAC
- 4-fluorobutyl thiocyanate
- English name
- Thiocyanic acid 4-fluorobutyl ester
- Molecular formula
- C5H8FNS
- Molecular weight
- 133.19
Names & synonyms
4-Fluorobutyl thiocyanate353-17-3Thiocyanic acid, 4-fluorobutyl esterBRN 1746871DTXSID30188800Thiocyanic acid 4-fluorobutyl ester
Database identifiers
- CAS
353-17-3- PubChem CID
- 67705
- DTXSID
DTXSID30188800- Nikkaji
- J48.846A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 85.7
Physicochemical properties
- Boiling point
- 97 · 97-98 °C(Press: 13 Torr)
- Density
- 1.118 · 1.118 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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