4,5-Dihydro-2-((3-(triethoxysilyl)propyl)thio)-1H-imidazole monohydrobromide

HCID 3045290

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Basic information

CAS: 91998-52-6
Standard SMILES: Br.CCO[Si](CCCSC1=NCCN1)(OCC)OCC
InChIKey: RHFFWHVKPFBMBR-UHFFFAOYSA-N
Molecular formula: C12H27BrN2O3SSi
Average molar mass: 387.41 g/mol
Monoisotopic mass: 386.0695

Names & identifiers

Preferred name: 4,5-Dihydro-2-((3-(triethoxysilyl)propyl)thio)-1H-imidazole monohydrobromide
IUPAC: 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane;hydrobromide
English name: 4,5-dihydro-2-[[3-(triethoxysilyl)propyl]thio]-1H-imidazole monohydrobromide
Molecular formula: C12H27BrN2O3SSi
Molecular weight: 387.40888

Names & synonyms

91998-52-64,5-Dihydro-2-((3-(triethoxysilyl)propyl)thio)-1H-imidazole monohydrobromideEINECS 295-356-9ZB6JT2G2NZSCHEMBL31359398DTXSID50238811RHFFWHVKPFBMBR-UHFFFAOYSA-NNS000634754,5-Dihydro-2-[[3-(triethoxysilyl)propyl]thio]-1H-imidazole hydrobromide1H-Imidazole, 4,5-dihydro-2-[[3-(triethoxysilyl)propyl]thio]-, hydrobromide2-{[3-(Triethoxysilyl)propyl]sulfanyl}-4,5-dihydro-1H-imidazole--hydrogen bromide (1/1)4,5-dihydro-2-[[3-(triethoxysilyl)propyl]thio]-1H-imidazole monohydrobromide

Database identifiers

CAS: 91998-52-6
PubChem CID: 3045290
DTXSID: DTXSID50238811
UNII: ZB6JT2G2NZ
EC Number: 295-356-9

Properties

Computed structural properties

Topological polar surface area: 77.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 20
Formal charge: 0
Complexity: 263

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