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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)-

Benzene, 1-iodo-4-isothiocyanato-

S=C=Nc1ccc(cc1)I Request for Quotation
Chemical Name: Benzene, 1-iodo-4-isothiocyanato-
CAS Number: 2059-76-9
Product Number: AG002AF1(AGN-PC-0JLBY4)
Synonyms:
MDL No:
Molecular Formula: C7H4INS
Molecular Weight: 261.0828

Identification/Properties

Properties
Storage:
2-8℃;Light sensitive;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
261.08g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
260.911g/mol
Monoisotopic Mass:
260.911g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
146
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


4-Iodophenyl isothiocyanate is a versatile compound that finds widespread application in chemical synthesis, particularly in organic and medicinal chemistry. This compound serves as a valuable building block for the creation of various functionalized molecules due to its unique reactivity and structural properties. Its ability to easily undergo reactions such as nucleophilic substitution and transition metal-catalyzed coupling reactions make it a key intermediate in the synthesis of complex organic compounds.One of the primary applications of 4-Iodophenyl isothiocyanate is in the synthesis of biologically active compounds and pharmaceutical intermediates. By serving as a precursor in the functionalization of aromatic rings, it allows chemists to introduce diverse functional groups into the molecular structure, thereby modulating the compound's properties and enhancing its biological activity. This compound has been utilized in the development of novel drug candidates, agrochemicals, and materials with specific characteristics tailored for various applications.Furthermore, 4-Iodophenyl isothiocyanate plays a crucial role in the construction of heterocyclic compounds, which are widely present in bioactive molecules and natural products. Its reactivity towards nucleophiles enables the formation of thiazoles, thiadiazoles, and other sulfur-containing heterocycles through multistep synthesis pathways. These heterocyclic scaffolds are of great importance in medicinal chemistry due to their pharmacological relevance and potential therapeutic applications.In summary, 4-Iodophenyl isothiocyanate is a valuable reagent in chemical synthesis, offering a broad spectrum of applications in the preparation of diverse organic compounds. Its versatility and compatibility with various synthetic strategies make it a powerful tool for researchers and chemists aiming to create new molecules with tailored properties for pharmaceutical, agricultural, and material science purposes.