CAS
947534-04-5 Purity
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947534-04-5 Purity
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Specification
The molecular formula is C8H16ClNOS.
The molecular weight is 209.74 g/mol.
The IUPAC name is 1-oxa-4-thia-9-azaspiro[4.6]undecane; hydrochloride.
The InChI is InChI=1S/C8H15NOS.ClH/c1-2-8(3-5-9-4-1)10-6-7-11-8;/h9H,1-7H2;1H.
The InChIKey is FIHVXTSSAHIROG-UHFFFAOYSA-N.
The canonical SMILES is C1CC2(CCNC1)OCCS2.Cl.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
The compound does not have any rotatable bonds.
The topological polar surface area is 46.6 Å2.