Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester
Basic information
- CAS
100700-28-5- Standard SMILES
CSC(=O)C(O)CCF- InChIKey
ASPNJYUDYUKRDH-UHFFFAOYSA-N- Molecular formula
- C5H9FO2S
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.03072886
Names & identifiers
- Preferred name
- Butyric acid, 4-fluoro-2-hydroxythio-, S-methyl ester
- IUPAC
- S-methyl 4-fluoro-2-hydroxybutanethioate
Names & synonyms
100700-28-5BUTYRIC ACID, 4-FLUORO-2-HYDROXYTHIO-, S-METHYL ESTERRefChem:1080496TL 1427S-methyl 4-fluoro-2-hydroxybutanethioateButyric acid, gamma-fluoro-beta-hydroxy-, thiol-, methyl esterDTXSID40905686
Database identifiers
- CAS
100700-28-5- PubChem CID
- 57975
- DTXSID
DTXSID40905686- Nikkaji
- J67.382J
Properties
Computed structural properties
- XLogP
- 0.7
- 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
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Related reactions
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Compound notes
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