Cas no 52395-66-1 (Cyclohexylmethyl isothiocyanate)

Cyclohexylmethyl isothiocyanate is a volatile organic compound characterized by the presence of an isothiocyanate functional group attached to a cyclohexylmethyl moiety. This compound is primarily utilized in organic synthesis and agrochemical research due to its reactivity as an electrophile, enabling the formation of thiourea derivatives and other sulfur-containing compounds. Its stability and relatively low volatility make it suitable for controlled reactions in laboratory settings. Additionally, it serves as a precursor in the development of bioactive molecules, including potential pesticidal and pharmaceutical agents. The cyclohexyl group contributes to enhanced lipophilicity, which can influence the compound's interaction with biological systems. Proper handling is required due to its potential irritant properties.
Cyclohexylmethyl isothiocyanate structure
52395-66-1 structure
Product Name:Cyclohexylmethyl isothiocyanate
CAS No:52395-66-1
MF:C8H13NS
MW:155.26052069664
MDL:MFCD00040881
CID:89705
PubChem ID:24881319
Update Time:2025-06-23

Cyclohexylmethyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Cyclohexylmethyl isothiocyanate
    • Cyclohexanemethyl isothiocyanate
    • Cycloexanemethyl isothiocyanate
    • isothiocyanatomethylcyclohexane
    • Cyclohexylmethyl isothiocyanate, 97%
    • AKOS009159137
    • DTXSID80200405
    • SCHEMBL1448756
    • BP-12936
    • CCA39566
    • NSC-400136
    • FT-0624231
    • NSC 400136
    • EN300-61597
    • AS-61174
    • MFCD00040881
    • (Isothiocyanatomethyl)cyclohexane
    • CHEMBL2151142
    • (Isothiocyanatomethyl)cyclohexane #
    • NSC400136
    • 52395-66-1
    • G77554
    • MDL： MFCD00040881
    • Inchi： 1S/C8H13NS/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2
    • InChI Key： RYBJNWIQNLZNPE-UHFFFAOYSA-N
    • SMILES： S=C=NCC1CCCCC1
    • BRN： 2079123

Computed Properties

  • Exact Mass: 155.07700
  • Monoisotopic Mass: 155.077
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 132
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4
  • Topological Polar Surface Area: 44.4A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 0.999?g/mL?at 25?°C(lit.)
  • Boiling Point: 222-223?°C(lit.)
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.5340(lit.)
  • PSA: 44.45000
  • LogP: 2.66950
  • Solubility: Hydrolyzable
  • Sensitiveness: Moisture Sensitive

Cyclohexylmethyl isothiocyanate Security Information

Cyclohexylmethyl isothiocyanate Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Cyclohexylmethyl isothiocyanate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
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Cyclohexylmethyl isothiocyanate
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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Cyclohexylmethyl Isothiocyanate
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Cyclohexylmethyl Isothiocyanate
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Cyclohexylmethyl Isothiocyanate
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Cyclohexylmethyl Isothiocyanate
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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Cyclohexylmethyl isothiocyanate
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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Cyclohexylmethyl isothiocyanate
 52395-66-1 97%
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 ￥1153.90 2023-09-03
Apollo Scientific
OR322093-500mg
Cyclohexylmethyl isothiocyanate
 52395-66-1
500mg
 ￡90.00 2024-05-23
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R032892-1g
Cyclohexylmethyl isothiocyanate
 52395-66-1 97%
1g
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SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
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Cyclohexylmethyl isothiocyanate
 52395-66-1 97%
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