Basic information
- CAS
63732-23-0- Standard SMILES
CSC(=O)CC(O)CF- InChIKey
VGIYQRKGQGYNFQ-UHFFFAOYSA-N- Molecular formula
- C5H9FO2S
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.03072886
Names & identifiers
- Preferred name
- Butanethioic acid, 4-fluoro-3-hydroxy-, methyl ester
- IUPAC
- S-methyl 4-fluoro-3-hydroxybutanethioate
Names & synonyms
63732-23-0BUTANETHIOIC ACID, 4-FLUORO-3-HYDROXY-, METHYL ESTERRefChem:1080289Methyl gamma-fluoro-beta-hydroxythiolbutyrateS-methyl 4-fluoro-3-hydroxybutanethioateDTXSID50980202
Database identifiers
- CAS
63732-23-0- PubChem CID
- 44657
- DTXSID
DTXSID50980202
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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