Basic information
- CAS
370-04-7- Standard SMILES
O=C(CF)Sc1ccccc1- InChIKey
ZMFYCHLZRAOBCQ-UHFFFAOYSA-N- Molecular formula
- C8H7FOS
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.02016418
Names & identifiers
- Preferred name
- Acetic acid, fluorothio-, S-phenyl ester
- IUPAC
- S-phenyl 2-fluoroethanethioate
- English name
- Fluorothioacetic acid S-phenyl ester
- Molecular formula
- C8H7FOS
- Molecular weight
- 170.2
Names & synonyms
ACETIC ACID, FLUOROTHIO-, S-PHENYL ESTER370-04-7Phenyl fluorothiolacetateBRN 324082217,846 RPS-Phenyl fluoroethanethioate4-06-00-01523 (Beilstein Handbook Reference)DTXSID30190488Fluorothioacetic acid S-phenyl esterEthanethioic acid, 2-fluoro-, S-phenyl ester
Database identifiers
- CAS
370-04-7- PubChem CID
- 9721
- DTXSID
DTXSID30190488- Nikkaji
- J55.321B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 36.5 · 36.5-37.5 °C
- Boiling point
- 132 °C · 132 °C(Press: 18 Torr)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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