1H-Azepine, hexahydro-1-((2-thienyldimethylsilyl)methyl)-, hydrochloride

HCID 54243

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Basic information

CAS: 78599-01-6
Standard SMILES: C[Si](C)(C[NH+]1CCCCCC1)c1cccs1.[Cl-]
InChIKey: JEDCEIVOIDIPIF-UHFFFAOYSA-N
Molecular formula: C13H24ClNSSi
Average molar mass: 289.94 g/mol
Monoisotopic mass: 289.1087252

Names & identifiers

Preferred name: 1H-Azepine, hexahydro-1-((2-thienyldimethylsilyl)methyl)-, hydrochloride
IUPAC: azepan-1-ium-1-ylmethyl-dimethyl-thiophen-2-ylsilane chloride

Names & synonyms

1-((2-Thienyldimethylsilyl)methyl)hexahydro-1H-azepine hydrochloride78599-01-61H-AZEPINE, HEXAHYDRO-1-((2-THIENYLDIMETHYLSILYL)METHYL)-, HYDROCHLORIDERefChem:237351

Database identifiers

CAS: 78599-01-6
PubChem CID: 54243

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 212

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