947534-38-5 Purity
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Specification
The molecular formula is C6H12ClNOS.
The synonyms are 947534-47-6 and 5-Oxa-9-thia-2-aza-spiro[3.5]nonane, hydrochloride.
The molecular weight is 181.68 g/mol.
The IUPAC name is 5-oxa-9-thia-2-azaspiro[3.5]nonane; hydrochloride.
The InChI is InChI=1S/C6H11NOS.ClH/c1-2-8-6(9-3-1)4-7-5-6;/h7H,1-5H2;1H.
The InChIKey is RKNBJFNNGUOPNQ-UHFFFAOYSA-N.
The canonical SMILES is C1COC2(CNC2)SC1.Cl.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
Yes, the compound is canonicalized.