Basic information
- CAS
63951-40-6- Standard SMILES
CC[N+](CC)(CC)CCSCC[N+](CC)(CC)CC.[Br-].[Br-]- InChIKey
SFMSZTNDIWQOND-UHFFFAOYSA-L- Molecular formula
- C16H38Br2N2S
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 448.11225
Names & identifiers
- Preferred name
- Ammonium, thiodiethylenebis(triethyl-, dibromide
- IUPAC
- triethyl-[2-[2-(triethylazaniumyl)ethylsulfanyl]ethyl]azanium dibromide
Names & synonyms
AMMONIUM, THIODIETHYLENEBIS(TRIETHYL-, DIBROMIDEAS-710263951-40-6RefChem:319473DTXSID00981325N,N,N-Triethyl-2-{[2-(triethylazaniumyl)ethyl]sulfanyl}ethan-1-aminium dibromide
Database identifiers
- CAS
63951-40-6- PubChem CID
- 45682
- DTXSID
DTXSID00981325
Properties
Computed structural properties
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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