958451-78-0 Purity
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Specification
The molecular formula is C6H12ClNOS.
The molecular weight is 181.68 g/mol.
The IUPAC name is 1-oxa-4-thia-7-azaspiro[4.4]nonane;hydrochloride.
The InChI is InChI=1S/C6H11NOS.ClH/c1-2-7-5-6(1)8-3-4-9-6;/h7H,1-5H2;1H.
The InChIKey is LXAZSLXHLFVESF-UHFFFAOYSA-N.
The canonical SMILES is C1CNCC12OCCS2.Cl.
The CAS number is 958451-82-6.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
The topological polar surface area is 46.6 Å2.