Basic information
- CAS
63732-24-1- Standard SMILES
CSC(=O)CCCF- InChIKey
NRBCPECJMAFRGV-UHFFFAOYSA-N- Molecular formula
- C5H9FOS
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.03581424
Names & identifiers
- Preferred name
- Butanethioic acid, 4-fluoro-, methyl ester
- IUPAC
- S-methyl 4-fluorobutanethioate
Names & synonyms
BUTANETHIOIC ACID, 4-FLUORO-, METHYL ESTER63732-24-1DTXSID60213159RefChem:1080288DTXCID10135650Methyl gamma-fluorothiolbutyrateButyric acid, 4-fluorothio-, methyl esterS-methyl 4-fluorobutanethioate4-fluorothiobutyric acid, S-methyl ester
Database identifiers
- CAS
63732-24-1- PubChem CID
- 44658
- DTXSID
DTXSID60213159
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 74.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…