Ethanamine, 2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)-, dihydrobromide
Basic information
- CAS
16181-77-4- Standard SMILES
[Br-].[Br-].[NH3+]CCSC1NCCC[NH2+]1- InChIKey
JNQABBUIAURWIA-UHFFFAOYSA-N- Molecular formula
- C6H17Br2N3S
- Average molar mass
- 323.1 g/mol
- Monoisotopic mass
- 320.95099
Names & identifiers
- Preferred name
- Ethanamine, 2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)-, dihydrobromide
- IUPAC
- 2-(1,3-diazinan-1-ium-2-ylsulfanyl)ethylazanium dibromide
Names & synonyms
ETHANAMINE, 2-((1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)THIO)-, DIHYDROBROMIDE16181-77-4RefChem:10842872-((1,4,5,6-Tetrahydro-2-pyrimidinyl)thio)ethanamine dihydrobromide
Database identifiers
- CAS
16181-77-4- PubChem CID
- 27737
Properties
Computed structural properties
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 89.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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