Basic information
- CAS
706-09-2- Standard SMILES
NC(=O)CSc1ccc(F)cc1- InChIKey
YRQRRKQCHIGTRU-UHFFFAOYSA-N- Molecular formula
- C8H8FNOS
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.03106321
Names & identifiers
- Preferred name
- 2-[(4-Fluorophenyl)thio]acetamide
- IUPAC
- 2-(4-fluorophenyl)sulfanylacetamide
Names & synonyms
2-[(4-Fluorophenyl)thio]acetamide706-09-22-((4-Fluorophenyl)thio)acetamideRefChem:2493992-[(4-fluorophenyl)sulfanyl]acetamideEnamine_005304MLS001033562CHEMBL1342067SCHEMBL11212864SCHEMBL11212870DTXSID801299317HMS1409B02
Show more names
HMS2696O07AKOS001055633SMR000363992Z16034821
Database identifiers
- CAS
706-09-2- PubChem CID
- 2407366
- DTXSID
DTXSID801299317- ChEMBL
CHEMBL1342067
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Solubility>27.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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