3-[(2-Fluorophenyl)sulfanyl]propanenitrile
Basic information
- CAS
51932-76-4- Standard SMILES
N#CCCSc1ccccc1F- InChIKey
WZFJCXSDORHWOA-UHFFFAOYSA-N- Molecular formula
- C9H8FNS
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.0361486
Names & identifiers
- Preferred name
- 3-[(2-Fluorophenyl)sulfanyl]propanenitrile
- IUPAC
- 3-(2-fluorophenyl)sulfanylpropanenitrile
- English name
- Propanenitrile, 3-[(2-fluorophenyl)thio]-
- Molecular formula
- C9H8FNS
- Molecular weight
- 181.23
Names & synonyms
3-[(2-fluorophenyl)sulfanyl]propanenitrile51932-76-43-[(2-fluorophenyl)thio]propanenitrile3-(2-fluorophenyl)sulfanylpropanenitrile3-((2-Fluorophenyl)sulfanyl)propanenitrileWZFJCXSDORHWOA-UHFFFAOYSA-NBCA932763-(2-fluorophenylthio)propanenitrileMFCD00105687SBB089815AKOS000217469EN300-174777
Show more names
Propanenitrile, 3-[(2-fluorophenyl)thio]-
G41578Z54463198
Database identifiers
- CAS
51932-76-4- PubChem CID
- 587963
- EC Number
- 192-802-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 290.5 · 290.5±25.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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