Cas no 37141-50-7 (3-Methylbenzyl Thiocyanate)

3-Methylbenzyl Thiocyanate is an organic compound featuring a thiocyanate functional group attached to a 3-methylbenzyl moiety. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its reactivity as a thiocyanate donor. Its structural properties make it valuable for constructing sulfur-containing heterocycles or as an intermediate in agrochemical and medicinal chemistry applications. The methyl substitution on the benzyl ring enhances stability while maintaining reactivity, offering a balance between shelf life and functional utility. The compound is typically handled under controlled conditions due to its potential sensitivity to moisture and light. Proper storage in a cool, dry environment is recommended to preserve its integrity.
3-Methylbenzyl Thiocyanate structure
3-Methylbenzyl Thiocyanate structure
Product Name:3-Methylbenzyl Thiocyanate
CAS No:37141-50-7
MF:C9H9NS
MW:163.239460706711
CID:309592
PubChem ID:97015
Update Time:2025-10-31

3-Methylbenzyl Thiocyanate Chemical and Physical Properties

Names and Identifiers

    • Thiocyanic acid,(3-methylphenyl)methyl ester
    • 3-Methylbenzyl thiocyanate
    • (3-methylphenyl)methyl thiocyanate
    • {[(3-methylphenyl)methyl]sulfanyl}carbonitrile
    • 3-Methylbenzylthiocyanate
    • NSC-96974
    • EINECS 253-365-5
    • FT-0616140
    • NS00057640
    • AKOS006272032
    • 1-Methyl-3-(thiocyanatomethyl)benzene
    • FT-0616139
    • 37141-50-7
    • Thiocyanic acid, (3-methylphenyl)methyl ester
    • UNII-FGK68M7VN4
    • 3-Methyl-Benzyl Thiocyanate
    • NSC96974
    • m-Methylbenzyl thiocyanate
    • MFCD00019767
    • FGK68M7VN4
    • DTXSID50958345
    • NSGWUGKMTAEVPQ-UHFFFAOYSA-N
    • NSC 96974
    • SCHEMBL468487
    • 3-Methylbenzyl Thiocyanate
    • MDL: MFCD00019767
    • Inchi: 1S/C9H9NS/c1-8-3-2-4-9(5-8)6-11-7-10/h2-5H,6H2,1H3
    • InChI Key: NSGWUGKMTAEVPQ-UHFFFAOYSA-N
    • SMILES: S(C#N)CC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 163.04600
  • Monoisotopic Mass: 163.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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
  • XLogP3: 3
  • Topological Polar Surface Area: 49.1A^2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 274.8±9.0 °C at 760 mmHg
  • Flash Point: 120.0±18.7 °C
  • Refractive Index: 1.579
  • PSA: 49.09000
  • LogP: 2.70928
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3-Methylbenzyl Thiocyanate Security Information

3-Methylbenzyl Thiocyanate 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%

3-Methylbenzyl Thiocyanate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M650025-50mg
3-Methylbenzyl Thiocyanate
37141-50-7
50mg
$ 50.00 2022-06-03
TRC
M650025-100mg
3-Methylbenzyl Thiocyanate
37141-50-7
100mg
$ 95.00 2022-06-03
TRC
M650025-500mg
3-Methylbenzyl Thiocyanate
37141-50-7
500mg
$ 320.00 2022-06-03
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1652068-100g
1-Methyl-3-(thiocyanatomethyl)benzene
37141-50-7 98%
100g
¥7045.00 2024-05-16
Crysdot LLC
CD12077851-100g
1-Methyl-3-(thiocyanatomethyl)benzene
37141-50-7 95+%
100g
$448 2024-07-24

3-Methylbenzyl Thiocyanate Related Literature

  • 1. 470. Thiocyanogen chloride. Part IV. Reaction with aromatic hydrocarbons; heterolytic and homolytic substitution in benzene homologues
    R. G. R. Bacon,R. G. Guy J. Chem. Soc. 1961 2428

Additional information on 3-Methylbenzyl Thiocyanate

Recent Advances in the Study of 3-Methylbenzyl Thiocyanate (CAS: 37141-50-7): A Comprehensive Research Brief

3-Methylbenzyl Thiocyanate (CAS: 37141-50-7) is an organosulfur compound that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its unique chemical properties and potential therapeutic applications. Recent studies have explored its role as a versatile building block in organic synthesis, as well as its biological activities, including antimicrobial, anticancer, and anti-inflammatory effects. This research brief aims to provide a comprehensive overview of the latest findings related to this compound, highlighting its synthetic utility, mechanism of action, and potential applications in drug discovery.

One of the most notable advancements in the study of 3-Methylbenzyl Thiocyanate is its application in the synthesis of biologically active molecules. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility as a precursor in the development of novel thiocyanate-containing derivatives with enhanced antimicrobial properties. The researchers employed a combination of computational modeling and experimental validation to identify key structural features that contribute to the compound's bioactivity. Their findings suggest that the thiocyanate moiety plays a critical role in disrupting bacterial cell membranes, making it a promising candidate for the development of new antibiotics.

In addition to its antimicrobial potential, 3-Methylbenzyl Thiocyanate has also been investigated for its anticancer properties. A recent study in Bioorganic & Medicinal Chemistry Letters reported that derivatives of this compound exhibit selective cytotoxicity against certain cancer cell lines, particularly those associated with breast and lung cancers. The study utilized in vitro assays to evaluate the compound's ability to induce apoptosis and inhibit cell proliferation. The results indicated that the compound's mechanism of action involves the modulation of key signaling pathways, such as the PI3K/AKT and MAPK pathways, which are often dysregulated in cancer cells.

Another area of interest is the compound's potential anti-inflammatory effects. A 2022 study published in European Journal of Pharmacology explored the role of 3-Methylbenzyl Thiocyanate in mitigating inflammation-related disorders. The researchers conducted in vivo experiments using murine models of acute and chronic inflammation, demonstrating that the compound significantly reduced the production of pro-inflammatory cytokines, such as TNF-α and IL-6. These findings suggest that 3-Methylbenzyl Thiocyanate could serve as a lead compound for the development of new anti-inflammatory drugs.

Despite these promising findings, challenges remain in the clinical translation of 3-Methylbenzyl Thiocyanate and its derivatives. Issues such as bioavailability, toxicity, and pharmacokinetic properties need to be addressed through further preclinical and clinical studies. However, the compound's versatility and demonstrated biological activities make it a valuable subject of ongoing research in the chemical biology and medicinal chemistry communities.

In conclusion, recent studies on 3-Methylbenzyl Thiocyanate (CAS: 37141-50-7) have highlighted its potential as a multifunctional compound with applications in antimicrobial, anticancer, and anti-inflammatory therapies. Continued research efforts are expected to further elucidate its mechanisms of action and optimize its pharmacological properties, paving the way for its eventual use in clinical settings.

Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.