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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)-

5-Isothiazolecarboxylic acid, 3,4-dichloro-

OC(=O)c1snc(c1Cl)Cl Request for Quotation
Chemical Name: 5-Isothiazolecarboxylic acid, 3,4-dichloro-
CAS Number: 18480-53-0
Product Number: AG00387G(AGN-PC-0JKXBS)
Synonyms:
MDL No:
Molecular Formula: C4HCl2NO2S
Molecular Weight: 198.0272

Identification/Properties

Computed Properties
Molecular Weight:
198.017g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
196.911g/mol
Monoisotopic Mass:
196.911g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
156
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


In chemical synthesis, 5-Isothiazolecarboxylic acid, 3,4-dichloro- serves as a versatile building block for the creation of various pharmaceuticals, agrochemicals, and advanced materials. Its unique structure and reactivity make it a valuable intermediate in the production of specialized molecules with diverse functionalities. By incorporating this compound into synthetic routes, chemists can access a wide range of derivatives that exhibit specific biological activities or material properties. The presence of both the isothiazole ring and carboxylic acid functionality confers distinct reactivity, allowing for selective modifications and strategic transformations in target molecule design. Additionally, the presence of the 3,4-dichloro substituents further enhances the compound's utility by enabling specific interactions and boosting potency in the resulting products. This compound's role in chemical synthesis extends beyond simple functional group interconversions, offering opportunities for the development of novel compounds with tailored properties for various applications.