Basic information
- CAS
1536-80-7- Standard SMILES
FCCCCCN=C=S- InChIKey
JEHXRXHQHCVJHP-UHFFFAOYSA-N- Molecular formula
- C6H10FNS
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.05179866
Names & identifiers
- Preferred name
- Isothiocyanic acid, 5-fluoropentyl ester
- IUPAC
- 1-fluoro-5-isothiocyanatopentane
- English name
- 5-Fluoropentyl isothiocyanate
- Molecular weight
- 0
Names & synonyms
1536-80-7ISOTHIOCYANIC ACID, 5-FLUOROPENTYL ESTER5-Fluoroamyl isothiocyanateBRN 1756483DTXSID801653684-04-00-00686 (Beilstein Handbook Reference)RefChem:350181DTXCID10878591-fluoro-5-isothiocyanatopentane5-Fluoropentyl isothiocyanate
Database identifiers
- CAS
1536-80-7- PubChem CID
- 15230
- DTXSID
DTXSID80165368- Nikkaji
- J40.605H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.2
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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