947533-92-8 Purity
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Specification
The molecular formula of Dithia-2-aza-spiro[3.4]octane hydrochloride is C6H12ClNS.
The molecular weight of Dithia-2-aza-spiro[3.4]octane hydrochloride is 165.69 g/mol.
The IUPAC name of Dithia-2-aza-spiro[3.4]octane hydrochloride is 1-thia-2-azaspiro[3.4]octane;hydrochloride.
The InChI of Dithia-2-aza-spiro[3.4]octane hydrochloride is InChI=1S/C6H11NS.ClH/c1-2-4-6(3-1)5-7-8-6;/h7H,1-5H2;1H.
The InChIKey of Dithia-2-aza-spiro[3.4]octane hydrochloride is YHRWYFOGXHIFKB-UHFFFAOYSA-N.
The canonical SMILES of Dithia-2-aza-spiro[3.4]octane hydrochloride is C1CCC2(C1)CNS2.Cl.
There are 2 hydrogen bond donor counts in Dithia-2-aza-spiro[3.4]octane hydrochloride.
There are 2 hydrogen bond acceptor counts in Dithia-2-aza-spiro[3.4]octane hydrochloride.
There are 0 rotatable bond counts in Dithia-2-aza-spiro[3.4]octane hydrochloride.
The topological polar surface area of Dithia-2-aza-spiro[3.4]octane hydrochloride is 37.3?2.