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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, (6-isothiocyanatohexyl)-

S=C=NCCCCCCc1ccccc1 Request for Quotation
Chemical Name: Benzene, (6-isothiocyanatohexyl)-
CAS Number: 133920-06-6
Product Number: AG008078(AGN-PC-0JLJRM)
Synonyms:
MDL No: MFCD02752403
Molecular Formula: C13H17NS
Molecular Weight: 219.3458

Identification/Properties

Computed Properties
Molecular Weight:
219.346g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
7
Exact Mass:
219.108g/mol
Monoisotopic Mass:
219.108g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
191
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


(6-Isothiocyanatohexyl)benzene, also known as ITHB, is a versatile compound widely utilized in chemical synthesis and organic chemistry research. Its key application lies in the modification of various biomolecules and polymers, enhancing their functionality and properties. In chemical synthesis, ITHB serves as a valuable building block for the creation of novel materials through reactions with amines, thiols, and other functional groups. By introducing the isothiocyanate group, ITHB enables the formation of stable linkages with target molecules, facilitating the development of new pharmaceuticals, functional polymers, and bioconjugates. Additionally, ITHB's unique structure and reactivity make it a valuable tool for bioconjugation and the design of advanced materials with tailored properties and applications.