Basic information
- CAS
6305-01-7- Standard SMILES
C[N+](C)(C)CCCSC1=NCC[NH2+]1.[Br-].[Br-]- InChIKey
ZGSNCOXQCRTQOC-UHFFFAOYSA-M- Molecular formula
- C9H21Br2N3S
- Average molar mass
- 363.16 g/mol
- Monoisotopic mass
- 360.98229
Names & identifiers
- Preferred name
- 2-Imidazoline, 2-(3-trimethylaminopropylthio)-, dihydrobromide
- IUPAC
- 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)propyl-trimethylazanium dibromide
Names & synonyms
2-IMIDAZOLINE, 2-(3-TRIMETHYLAMINOPROPYLTHIO)-, DIHYDROBROMIDERefChem:1063493USAF IN-96305-01-7NSC 431751,3-Ethylene-2-(3-trimethylamino)propylisothiouronium dibromidePseudourea, 2-thio-1,3-ethylene-2-(3-trimethylamino)propyl-, dibromide1-Propanaminium, 3-((4,5-dihydro-1H-imidazol-2-yl)thio)-N,N,N-trimethyl-, bromide, monohydrobromide1-Propanaminium, 3-((4,5-dihydro-1H-imidazol-2-yl)thio)-N,N,N-trimethyl-, bromide, monohydrochloride
Database identifiers
- CAS
6305-01-7- PubChem CID
- 22744
Properties
Computed structural properties
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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