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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-2-isothiocyanato-

S=C=Nc1ccccc1I Request for Quotation
Chemical Name: Benzene, 1-iodo-2-isothiocyanato-
CAS Number: 98041-44-2
Product Number: AG003HGY(AGN-PC-0JMUGB)
Synonyms:
MDL No:
Molecular Formula: C7H4INS
Molecular Weight: 261.0828

Identification/Properties

Properties
Storage:
Room Temperature;Light sensitive;Keep in dry area;
Computed Properties
Molecular Weight:
261.08g/mol
XLogP3:
4
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:
154
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


2-Iodophenyl isothiocyanate is a versatile reagent used in chemical synthesis for the functionalization of aromatic compounds. With its unique isothiocyanate group and iodine atom, this compound is particularly valuable in organic transformations, allowing for the introduction of both thiol and iodine functionalities into target molecules. In a diverse range of reactions, 2-Iodophenyl isothiocyanate serves as a key building block for the synthesis of pharmaceuticals, agrochemicals, and materials science compounds. Its ability to facilitate selective substitutions and coupling reactions makes it an essential tool in the hands of synthetic chemists seeking to modify and diversify molecular structures.