Basic information
- CAS
406-27-9- Standard SMILES
O=C(CF)SCCCl- InChIKey
WVIGZHKFISVJCL-UHFFFAOYSA-N- Molecular formula
- C4H6ClFOS
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 155.9811918
Names & identifiers
- Preferred name
- Acetic acid, fluorothio-, S-(2-chloroethyl) ester
- IUPAC
- S-(2-chloroethyl) 2-fluoroethanethioate
- English name
- Fluorothioacetic acid S-(2-chloroethyl) ester
- Molecular weight
- 0
Names & synonyms
406-27-9ACETIC ACID, FLUOROTHIO-, S-(2-CHLOROETHYL) ESTERRefChem:1075814S-(2-chloroethyl) 2-fluoroethanethioateTL 7252-Chloroethyl fluorothiolacetates-(2-chloroethyl) fluoroethanethioateBRN 17496583-02-00-00500 (Beilstein Handbook Reference)DTXSID90961010AKOS006386160Fluorothioacetic acid S-(2-chloroethyl) ester
Database identifiers
- CAS
406-27-9- PubChem CID
- 9843
- DTXSID
DTXSID90961010- Nikkaji
- J55.320D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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