Acetic acid, thio-, S-(4-fluorobutyl) ester
Basic information
- CAS
373-11-5- Standard SMILES
CC(=O)SCCCCF- InChIKey
YRZBWKXTJMKJIO-UHFFFAOYSA-N- Molecular formula
- C6H11FOS
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.05146431
Names & identifiers
- Preferred name
- Acetic acid, thio-, S-(4-fluorobutyl) ester
- IUPAC
- S-(4-fluorobutyl) ethanethioate
- English name
- Thioacetic acid S-(4-fluorobutyl) ester
- Molecular weight
- 0
Names & synonyms
4-Fluorobutyl thiolacetateButanethiol, 4-fluoro-, acetateACETIC ACID, THIO-, S-(4-FLUOROBUTYL) ESTER373-11-5BRN 1749682Ethanethioic S-acid, 4-fluorobutyl esterDTXSID501907434-02-00-00545 (Beilstein Handbook Reference)RefChem:316697DTXCID90113234S-(4-fluorobutyl) ethanethioateSCHEMBL15402986
Show more names
Thioacetic acid S-(4-fluorobutyl) ester
YRZBWKXTJMKJIO-UHFFFAOYSA-N
Database identifiers
- CAS
373-11-5- PubChem CID
- 9759
- DTXSID
DTXSID50190743- Nikkaji
- J55.342E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85.1
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Compound notes
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