2-Imidazoline, 2-(3-aminopropylthio)-, dihydrobromide
Basic information
- CAS
4786-85-0- Standard SMILES
[Br-].[Br-].[NH3+]CCCSC1=NCC[NH2+]1- InChIKey
QLDDSOKYEWDEJW-UHFFFAOYSA-N- Molecular formula
- C6H15Br2N3S
- Average molar mass
- 321.08 g/mol
- Monoisotopic mass
- 318.93534
Names & identifiers
- Preferred name
- 2-Imidazoline, 2-(3-aminopropylthio)-, dihydrobromide
- IUPAC
- 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)propylazanium dibromide
Names & synonyms
USAF PD-42-(3-Aminopropyl thio)-2-imidazoline dihydrobromide4786-85-02-IMIDAZOLINE, 2-(3-AMINOPROPYLTHIO)-, DIHYDROBROMIDERefChem:262010
Database identifiers
- CAS
4786-85-0- PubChem CID
- 20916
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
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Compound notes
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