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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)-

Benzenecarbothioamide, 3-iodo-

Ic1cccc(c1)C(=S)N Request for Quotation
Chemical Name: Benzenecarbothioamide, 3-iodo-
CAS Number: 106748-26-9
Product Number: AG007BT8(AGN-PC-0KKN69)
Synonyms:
MDL No:
Molecular Formula: C7H6INS
Molecular Weight: 263.0987

Identification/Properties

Computed Properties
Molecular Weight:
263.096g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
262.927g/mol
Monoisotopic Mass:
262.927g/mol
Topological Polar Surface Area:
58.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
138
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-Iodobenzothioamide is a versatile compound widely used in chemical synthesis due to its unique properties. This compound serves as a key building block in the preparation of various organic molecules and functional materials. One of its primary applications is as a precursor in the synthesis of heterocyclic compounds, which are important in medicinal chemistry and pharmaceutical research. Additionally, 3-Iodobenzothioamide is utilized in the preparation of agrochemicals and advanced materials due to its ability to introduce specific functional groups into organic structures. Its strategic placement allows for precise modification of molecular properties, making it a valuable tool in the development of innovative chemical products.