958451-86-0 Purity
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Specification
The molecular formula of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is C8H16ClNS2.
The molecular weight of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is 225.8 g/mol.
The IUPAC name of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is 1,5-dithia-9-azaspiro[5.5]undecane;hydrochloride.
The InChI of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is InChI=1S/C8H15NS2.ClH/c1-6-10-8(11-7-1)2-4-9-5-3-8;/h9H,1-7H2;1H.
The InChIKey of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is DZFBWPUVASRKLS-UHFFFAOYSA-N.
The canonical SMILES of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is C1CSC2(CCNCC2)SC1.Cl.
The hydrogen bond donor count of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is 2.
The hydrogen bond acceptor count of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is 3.
The topological polar surface area of 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is 62.6Ų.
Yes, 1,5-Dithia-9-aza-spiro[5.5]undecane hydrochloride is canonicalized.