Basic information
- CAS
375-20-2- Standard SMILES
NC(=S)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
XCHUDVPHMNHSBK-UHFFFAOYSA-N- Molecular formula
- C4H2F7NS
- Average molar mass
- 229.12 g/mol
- Monoisotopic mass
- 228.97961738
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,4-Heptafluorobutanethioamide
- IUPAC
- 2,2,3,3,4,4,4-heptafluorobutanethioamide
Names & synonyms
2,2,3,3,4,4,4-heptafluorobutanethioamide375-20-2DTXSID90895361RefChem:242616DTXCID001324877heptafluorobutanethioamideSCHEMBL158039162,2,3,3,4,4,4-heptafluoro-thiobutyramideNS00112081EN300-1973485
Database identifiers
- CAS
375-20-2- PubChem CID
- 24973005
- DTXSID
DTXSID90895361
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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