Basic information
- CAS
462-31-7- Standard SMILES
CC(=O)SCCF- InChIKey
MFWYIFRPVITMEP-UHFFFAOYSA-N- Molecular formula
- C4H7FOS
- Average molar mass
- 122.16 g/mol
- Monoisotopic mass
- 122.02016418
Names & identifiers
- Preferred name
- Acetic acid, thio-, S-(2-fluoroethyl) ester
- IUPAC
- S-(2-fluoroethyl) ethanethioate
- English name
- Thioacetic acid S-(2-fluoroethyl) ester
- Molecular weight
- 0
Names & synonyms
462-31-7ACETIC ACID, THIO-, S-(2-FLUOROETHYL) ESTERDTXSID10196761RefChem:1075844DTXCID501192522-Fluoroethyl thiolacetates-(2-fluoroethyl) ethanethioateBRN 1743106Ethanethioic S-acid, 2-fluoroethyl ester4-02-00-00544 (Beilstein Handbook Reference)SCHEMBL16352674thioacetic acid, 2-fluoroethyl ester
Show more names
Thioacetic acid S-(2-fluoroethyl) ester
Database identifiers
- CAS
462-31-7- PubChem CID
- 10018
- DTXSID
DTXSID10196761- Nikkaji
- J86.292D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 142.43 °C · 142.43°C (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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