Basic information
- CAS
403479-64-1- Standard SMILES
CCNC(=S)C(F)(F)F- InChIKey
XUROOOCPKLBXSB-UHFFFAOYSA-N- Molecular formula
- C4H6F3NS
- Average molar mass
- 157.16 g/mol
- Monoisotopic mass
- 157.01730485
Names & identifiers
- Preferred name
- N-Ethyl(trifluoro)ethanethioamide
- IUPAC
- N-ethyl-2,2,2-trifluoroethanethioamide
Names & synonyms
N-Ethyl(trifluoro)ethanethioamide403479-64-1DTXSID60573366RefChem:363905DTXCID80524138SCHEMBL15846616SCHEMBL19823688N-Ethyltri(fluoro)ethanethioamideethyl 2,2,2-trifluoroethanethioamide
Database identifiers
- CAS
403479-64-1- PubChem CID
- 15499429
- DTXSID
DTXSID60573366- Nikkaji
- J1.338.253K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Related reactions
1 records
Compound notes
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