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2H-Thiopyran-4-ol, tetrahydro-, 1-oxide is a chemical compound with the molecular formula C5H10OS. It is a heterocyclic compound, specifically a tetrahydrothiopyran derivative, which features a sulfur atom in the ring structure. 2H-Thiopyran-4-ol, tetrahydro-, 1-oxide is also known as tetrahydro-2H-thiopyran-4-ol 1-oxide or 4-hydroxytetrahydrothiopyran 1-oxide. It is an important intermediate in the synthesis of various organic compounds, particularly those containing a thiopyran ring system. The 1-oxide functional group indicates the presence of an oxygen atom bonded to the carbon atom at position 1, which can influence the reactivity and properties of the molecule. 2H-Thiopyran-4-ol, tetrahydro-, 1-oxide is used in the preparation of pharmaceuticals, agrochemicals, and other specialty chemicals, showcasing its versatility in organic synthesis.

89211-29-0

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89211-29-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 89211-29-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,9,2,1 and 1 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 89211-29:
(7*8)+(6*9)+(5*2)+(4*1)+(3*1)+(2*2)+(1*9)=140
140 % 10 = 0
So 89211-29-0 is a valid CAS Registry Number.

89211-29-0Upstream product

89211-29-0Downstream Products

89211-29-0Relevant academic research and scientific papers

Observed and calculated 1Hand 13C chemical shifts induced by the in situ oxidation ofmodel sulfides to sulfoxides and sulfones

Dracinsky, Martin,Pohl, Radek,Slavetinska, Lenka,Budesinsky, Milos

, p. 718 - 726 (2010)

A series of model sulfides was oxidized in the NMR sample tube to sulfoxides and sulfones by the stepwise addition of meta-chloroperbenzoic acid in deuterochloroform. Various methods of quantum chemical calculations have been tested to reproduce the observed 1H and 13C chemical shifts of the starting sulfides and their oxidation products. It has been shown that the determination of the energy-minimized conformation is a very important condition for obtaining realistic data in the subsequent calculation of the NMR chemical shifts. The correlation between calculated and observed chemical shifts is very good for carbon atoms (even for the 'cheap' DFT B3LYP/6-31G* method) and somewhat less satisfactory for hydrogen atoms. The calculated chemical shifts induced by oxidation (the δd values) agree even better with the experimental values and can also be used to determine the oxidation state of the sulfur atom (-S-, -SO-, -SO2 -). Copyright

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