Chemistry Organic Building Blocks Isocyanates and Isothiocyanates

Isocyanates and Isothiocyanates

Isocyanate is an organic functional group represented by the formula R−N=C=O in organic chemistry. Compounds that feature an isocyanate group are classified as isocyanates. By contrast, isothiocyanate is an organic functional group denoted by −N=C=S, which arises from replacing the oxygen in the isocyanate group with a sulfur atom.

Isocyanates are typically generated through the process of phosgenation, involving a reaction between amines and phosgene. In contrast, isothiocyanates can be synthesized through thermally-induced fragmentation reactions of 1,4,2-oxathiazoles, which has also been utilized for the polymer-supported synthesis of isothiocyanates.

Due to their electrophilic nature, isocyanates can react readily with a diverse range of nucleophiles such as alcohols, amines, and even water. In comparison to structurally similar isothiocyanates, isocyanates demonstrate a higher reactivity.

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Framework+−

(isothiocyanatomethyl)benzene 1-chloro-2-isocyanatobenzene 1-chloro-2-isothiocyanatobenzene isocyanatobenzene isothiocyanatobenzene

By Key Group+−

benzylisothiocyanate isocyanate isocyanate isocyanatomethyl isocyanurate isocyanurate

By Functional Group+−

Amines Aryls Chiral Building Blocks Ethers Sulfamides

By Chemical Elements+−

    Bx
    Cx
    Nx
    Ox
    Fx
    Six
    Px
    Sx
    Clx
    Brx
    Ix

    Formula Weight+−

    cLogP+−

    H-Acceptors+−

    H-Donors+−

    Polar Surface Area+−

    Druglikeness+−

    NNCH/NNH+−

    sp3-Atoms+−

    Non-Aromatic Rings+−

    Aromatic Rings+−

    Rotatable Bonds+−

    2-Ethoxyphenylisothiocyanate

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    A52667523163-84-095%

    2-Ethoxyphenylisothiocyanate

    $162.00/25g

    Detail
    2-Isopropylphenylisocyanate

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    A66763456309-56-997%

    2-Isopropylphenylisocyanate

    $136.00/10g

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    2-Chloro-1-isocyanato-3-(trifluoromethyl)benzene

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    A115781588330-63-698%

    2-Chloro-1-isocyanato-3-(trifluoromethyl)benzene

    $211.00/250mg

    Detail
    1-isothiocyanatobicyclo[1.1.1]pentane

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    A7060582187435-29-495%

    1-isothiocyanatobicyclo[1.1.1]pentane

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    Detail
    4-(Trifluoromethoxy)phenylisothiocyanate

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    A22309564285-95-698%

    4-(Trifluoromethoxy)phenylisothiocyanate

    $266.00/25g

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    3-Iodophenyl isothiocyanate

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    A1817643125-73-398%

    3-Iodophenyl isothiocyanate

    $169.00/25g

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    4-Fluoro-3-methylphenyl isocyanate

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    A736353351003-65-198%

    4-Fluoro-3-methylphenyl isocyanate

    $34.00/250mg

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    Iberin

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    A243802505-44-298%

    Iberin

    $83.00/5mg

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    2,4-Difluorophenylisocyanate

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    A76648159025-55-798%

    2,4-Difluorophenylisocyanate

    $11.00/1g

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    3,5-Dimethylphenylisothiocyanate

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    A31084940046-30-895%

    3,5-Dimethylphenylisothiocyanate

    $74.00/5g

    Detail
    4-Butylphenylisothiocyanate

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    A13495523165-44-897%

    4-Butylphenylisothiocyanate

    $57.00/5g

    Detail
    2-Chloro-1-fluoro-4-isocyanatobenzene

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    A93563350529-33-495%

    2-Chloro-1-fluoro-4-isocyanatobenzene

    $22.00/1g

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    4-tert-Butylphenyl isocyanate

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    A4847351943-67-598%

    4-tert-Butylphenyl isocyanate

    $25.00/1g

    Detail
    1-Isothiocyanato-2-(trifluoromethyl)benzene

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    A8589201743-86-898%

    1-Isothiocyanato-2-(trifluoromethyl)benzene

    $91.00/10g

    Detail
    1,3-Difluoro-5-isocyanatobenzene

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    A48183983594-83-697%

    1,3-Difluoro-5-isocyanatobenzene

    $20.00/1g

    Detail
    3,5-Bis(trifluoromethyl)phenyl isothiocyanate

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    A66118023165-29-995%

    3,5-Bis(trifluoromethyl)phenyl isothiocyanate

    $54.00/25g

    Detail
    2-Chloro-6-methylphenylisothiocyanate

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    A63656719241-34-098%

    2-Chloro-6-methylphenylisothiocyanate

    $132.00/25g

    Detail
    4-Ethylphenyl isothiocyanate

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    A38476618856-63-898%

    4-Ethylphenyl isothiocyanate

    $67.00/10g

    Detail
    4-tert-Butylphenylisothiocyanate

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    A97708719241-24-898%

    4-tert-Butylphenylisothiocyanate

    $72.00/5g

    Detail
    3-Fluorophenylisocyanate

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    A146185404-71-795%

    3-Fluorophenylisocyanate

    $19.00/5g

    Detail
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