Basic information
- CAS
145372-21-0- Standard SMILES
CC(C)SSC(F)(F)F- InChIKey
DUOCZXQKHSWHAQ-UHFFFAOYSA-N- Molecular formula
- C4H7F3S2
- Average molar mass
- 176.2 g/mol
- Monoisotopic mass
- 175.99412706
Names & identifiers
- Preferred name
- Trifluoromethyl isopropyl disulfide
- IUPAC
- 2-(trifluoromethyldisulfanyl)propane
- English name
- Trifluoromethyl isopropyl disulfide
- Molecular formula
- C4H7F3S2
- Molecular weight
- 176.22
Names & synonyms
Trifluoromethyl isopropyl disulfide145372-21-02-(trifluoromethyldisulfanyl)propaneDisulfide,1-methylethyl trifluoromethyl (9CI)DTXSID20338650DUOCZXQKHSWHAQ-UHFFFAOYSA-N2-[(Trifluoromethyl)disulfanyl]propane2-[(Trifluoromethyl)disulfanyl]propane #Disulfide, 1-methylethyl trifluoromethyl (9CI)
Database identifiers
- CAS
145372-21-0- PubChem CID
- 550487
- DTXSID
DTXSID20338650
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 78.4
Physicochemical properties
- Boiling point
- 110.7 · 110.7±35.0 °C(Predicted)
- Density
- 1.265 · 1.265±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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