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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-Thietanone

O=C1CSC1 Request for Quotation
Chemical Name: 3-Thietanone
CAS Number: 22131-92-6
Product Number: AG003US4(AGN-PC-0NIGON)
Synonyms:
MDL No:
Molecular Formula: C3H4OS
Molecular Weight: 88.1283

Identification/Properties

Properties
BP:
126.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
88.124g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
87.998g/mol
Monoisotopic Mass:
87.998g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
53.9
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H225
Precautionary Statements:
P210-P273-P243-P403
Class:
3
Packing Group:
Ⅲ

NMR Spectrum

PNMR/Thietan-3-one-22131-92-6-hnmr.pdf

Other Analytical Data

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Chemical Structure


Thietan-3-one, also known as 2,2-dimethyl-1,3-dioxane, is a versatile compound widely utilized in chemical synthesis. Due to its unique structure containing a three-membered ring with an oxygen atom, thietan-3-one serves as a valuable building block in organic chemistry.One of the key applications of thietan-3-one lies in its role as a masked thioester. Thioesters are important intermediates in various organic reactions, but their inherent reactivity can sometimes pose challenges during synthesis. By utilizing thietan-3-one as a precursor, thioesters can be generated under milder conditions and with improved control over reactivity. This strategy enables chemists to access thioester functionalities in a more efficient and selective manner.In addition, thietan-3-one can participate in thioacetalization reactions, where it serves as a sulfur-containing synthon for the construction of sulfur-containing compounds. This reactivity expands the synthetic toolbox available to chemists for the preparation of diverse sulfur-containing molecules, which are prevalent in pharmaceuticals, agrochemicals, and materials science.Overall, the strategic incorporation of thietan-3-one in chemical synthesis not only facilitates the construction of complex molecules but also offers a valuable approach to manipulate sulfur-containing functionalities with precision and efficiency.