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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)-

4-Isothiazolecarboxylicacid, 3-chloro-

OC(=O)c1csnc1Cl Request for Quotation
Chemical Name: 4-Isothiazolecarboxylicacid, 3-chloro-
CAS Number: 933690-30-3
Product Number: AG006G7Y(AGN-PC-078TID)
Synonyms:
MDL No:
Molecular Formula: C4H2ClNO2S
Molecular Weight: 163.5822

Identification/Properties

Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
163.575g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
162.949g/mol
Monoisotopic Mass:
162.949g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
132
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Chloro-4-isothiazolecarboxylic acid is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Its functional group allows for facile derivatization, enabling the introduction of diverse chemical moieties for the systematic exploration of structure-activity relationships in drug discovery and materials science. In addition, 3-Chloro-4-isothiazolecarboxylic acid can be used for the synthesis of heterocyclic compounds, which are valuable motifs in drug design due to their diverse biological activities and pharmacological profiles. Furthermore, this compound acts as a crucial intermediate in the production of complex molecules, providing chemists with a powerful tool for the efficient construction of molecular scaffolds with specific functions and properties.