Basic information
- CAS
39091-73-1- Standard SMILES
FC(F)(F)C1=C(C(F)(F)F)C2(C(F)(F)F)SC12C(F)(F)F- InChIKey
KJBUGUZZNRVQCZ-UHFFFAOYSA-N- Molecular formula
- C8F12S
- Average molar mass
- 356.13 g/mol
- Monoisotopic mass
- 355.9529091
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrakis(trifluoromethyl)-5-thiabicyclo[2.1.0]pent-2-ene
- IUPAC
- 1,2,3,4-tetrakis(trifluoromethyl)-5-thiabicyclo[2.1.0]pent-2-ene
- English name
- 1,2,3,4-Tetrakis(trifluoromethyl)-5-thiabicyclo[2.1.0]pent-2-ene
- Molecular formula
- C8F12S
- Molecular weight
- 356.13
Names & synonyms
39091-73-11,2,3,4-Tetrakis(trifluoromethyl)-5-thiabicyclo[2.1.0]pent-2-ene5-Thiabicyclo[2.1.0]pent-2-ene, 1,2,3,4-tetrakis(trifluoromethyl)-DTXSID20338670KJBUGUZZNRVQCZ-UHFFFAOYSA-N1,2,3,4-Tetrakis(trifluoromethyl)-5-thiabicyclo[2.1.0]pent-2-ene #
Database identifiers
- CAS
39091-73-1- PubChem CID
- 550607
- DTXSID
DTXSID20338670- Nikkaji
- J132.945F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Boiling point
- 92.6 · 92.6±40.0 °C(Predicted)
- Density
- 1.975 · 1.975±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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