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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)-

Cyclohexane, (isothiocyanatomethyl)-

S=C=NCC1CCCCC1 Request for Quotation
Chemical Name: Cyclohexane, (isothiocyanatomethyl)-
CAS Number: 52395-66-1
Product Number: AG003P4Q(AGN-PC-0JMSXN)
Synonyms:
MDL No:
Molecular Formula: C8H13NS
Molecular Weight: 155.2605

Identification/Properties

Properties
BP:
222-223 °C (lit.)
Storage:
2-8℃;Inert atmosphere;
Computed Properties
Molecular Weight:
155.259g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
155.077g/mol
Monoisotopic Mass:
155.077g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
10
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


Cyclohexylmethyl isothiocyanate is commonly utilized in chemical synthesis as a versatile building block for the preparation of various organic compounds. This compound serves as a valuable reagent in the formation of carbon-carbon and carbon-nitrogen bonds, making it a fundamental component in the creation of complex molecular structures.Its unique chemical properties enable it to react with a wide range of functional groups, facilitating the synthesis of a diverse array of organic molecules. In the realm of medicinal chemistry, Cyclohexylmethyl isothiocyanate is frequently employed in the design and development of pharmaceutical agents, showcasing its importance in drug discovery processes.Additionally, this compound plays a crucial role in the synthesis of agricultural chemicals, fragrances, and materials for various industrial applications. Its ability to introduce the isothiocyanate functional group into organic molecules confers distinctive chemical reactivity, making it a valuable tool for synthetic chemists seeking to access novel compounds with tailored properties.