Basic information
- CAS
690-24-4- Standard SMILES
N#CSC(F)(F)F- InChIKey
IWJODGXJDSWIHQ-UHFFFAOYSA-N- Molecular formula
- C2F3NS
- Average molar mass
- 127.09 g/mol
- Monoisotopic mass
- 126.97035466
Names & identifiers
- Preferred name
- Trifluoromethylthiocyanate
- IUPAC
- trifluoromethyl thiocyanate
Names & synonyms
Trifluoromethylthiocyanatetrifluoromethyl thiocyanateThiocyanic acid, trifluoromethyl ester690-24-4SCHEMBL6629209SCHEMBL11494150DTXSID90338586
Database identifiers
- CAS
690-24-4- PubChem CID
- 550004
- DTXSID
DTXSID90338586
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 97.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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