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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(2H)-Isothiazolone

O=c1ccs[nH]1 Request for Quotation
Chemical Name: 3(2H)-Isothiazolone
CAS Number: 1003-07-2
Product Number: AG0001HV(AGN-PC-0JM27B)
Synonyms:
MDL No:
Molecular Formula: C3H3NOS
Molecular Weight: 101.1270

Identification/Properties

Computed Properties
Molecular Weight:
101.123g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
100.994g/mol
Monoisotopic Mass:
100.994g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
99
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


Isothiazol-3(2H)-one, also known as 1,2-thiazole-3-one, is a versatile compound widely utilized in chemical synthesis for its unique reactivity and functional groups. The heterocyclic structure of Isothiazol-3(2H)-one confers distinctive properties that make it a valuable building block in the production of various organic compounds.In chemical synthesis, Isothiazol-3(2H)-one serves as a key intermediate for the construction of biologically active molecules, pharmaceuticals, agrochemicals, and specialty chemicals. It can undergo a range of chemical transformations, including ring-opening reactions, condensation reactions, and functional group modifications, allowing for the creation of diverse molecular structures.The presence of the thiazole ring in Isothiazol-3(2H)-one imparts both aromatic and heterocyclic characteristics, making it a suitable candidate for the development of new materials and compounds with desired properties. Its versatile nature enables chemists to tailor the molecular structure of products to achieve specific functionalities and applications in various industries.Overall, Isothiazol-3(2H)-one plays a crucial role in advancing the field of chemical synthesis by facilitating the efficient and selective formation of complex organic molecules with applications in pharmaceuticals, materials science, and agrochemicals. Its rich chemistry and diverse reactivity make it a valuable tool for designing novel compounds with tailored properties and functionalities.