Basic information
- CAS
56051-72-0- Standard SMILES
CCN(CC)CC(SC(Cl)(Cl)Cl)SC(Cl)(Cl)Cl- InChIKey
KWJUKJRMOQBWCR-UHFFFAOYSA-N- Molecular formula
- C8H13Cl6NS2
- Average molar mass
- 400 g/mol
Names & identifiers
- Preferred name
- Ethanamine, N,N-diethyl-2,2-bis[(trichloromethyl)thio]-
- IUPAC
- N,N-diethyl-2,2-bis(trichloromethylsulfanyl)ethanamine
- English name
- N,N-Diethyl-2,2-bis[(trichloromethyl)thio]ethanamine
- Molecular formula
- C8H13Cl6NS2
- Molecular weight
- 400.04
Names & synonyms
Ethanamine, N,N-diethyl-2,2-bis[(trichloromethyl)thio]-KWJUKJRMOQBWCR-UHFFFAOYSA-NN,N-Diethyl-2,2-bis[(trichloromethyl)sulfanyl]ethanamine #N,N-Diethyl-2,2-bis[(trichloromethyl)thio]ethanamine
Database identifiers
- CAS
56051-72-0- Nikkaji
- J146.104D
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 329.7 · 329.7±42.0 °C(Predicted)
- Density
- 1.512 · 1.512±0.06 g/cm3(Predicted)
- pka
- 8.75 · 8.75±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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