Ethanamine, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N,N-dimethyl-, dihydrochloride
Basic information
- CAS
16181-75-2- Standard SMILES
C[NH+](C)CCSC1=NCC[NH2+]1.[Cl-].[Cl-]- InChIKey
URUZINKWOOUTTH-UHFFFAOYSA-N- Molecular formula
- C7H17Cl2N3S
- Average molar mass
- 246.2 g/mol
- Monoisotopic mass
- 245.0520241
Names & identifiers
- Preferred name
- Ethanamine, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N,N-dimethyl-, dihydrochloride
- IUPAC
- 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethyl-dimethylazanium dichloride
Names & synonyms
Ethanamine, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N,N-dimethyl-, dihydrochloride2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-N,N-dimethylethanamine dihydrochloride16181-75-2RefChem:339806
Database identifiers
- CAS
16181-75-2- PubChem CID
- 27736
Properties
Computed structural properties
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…