Cas no 2987-46-4 ((4-aminophenyl)sulfanylformonitrile)

(4-aminophenyl)sulfanylformonitrile structure
2987-46-4 structure
Product Name:(4-aminophenyl)sulfanylformonitrile
CAS No:2987-46-4
MF:C7H6N2S
MW:150.200939655304
CID:258570
PubChem ID:76336
Update Time:2025-10-28

(4-aminophenyl)sulfanylformonitrile Chemical and Physical Properties

Names and Identifiers

    • Thiocyanic acid,4-aminophenyl ester
    • (4-aminophenyl) thiocyanate
    • 4-amino phenyl thiocyanate
    • 2-thiocyanatoaniline
    • 4-thiocyanatobenzamine
    • 4-thiocyanatobenzenamine
    • 4-Thiocyanoaniline
    • Aniline, p-thiocyanato-
    • Anilinrhodanil
    • p-aminophenyl thiocyanate
    • p-Rhodananiline
    • p-Thiocyanatoaniline
    • p-Thiocyano-aniline
    • Rhodan
    • Rodan
    • Rodan [Czech]
    • 2987-46-4
    • NSC227955
    • CS-0220975
    • p-Aminophenylthiocyanat
    • SCHEMBL126505
    • UNII-Q83LHW6L5V
    • BRN 1365182
    • Q83LHW6L5V
    • Thiocyanic acid, 4-aminophenyl ester
    • [(4-aminophenyl)sulfanyl]formonitrile
    • HMS1409J16
    • MFCD00042820
    • AKOS000313286
    • SY333399
    • Enamine_005494
    • 4-Thiocyanatoaniline
    • NS-01155
    • (4-Aminophenyl)thiocyanate
    • 4-13-00-01303 (Beilstein Handbook Reference)
    • NSC 227955
    • AI3-24798
    • Thiocyanic acid, p-aminophenyl ester
    • 1-Amino-4-thiocyanatobenzene
    • Anilinrhodanil [German]
    • DTXSID20183985
    • NJYFRQQXXXRJHK-UHFFFAOYSA-N
    • WLN: ZR DSCN
    • E83756
    • 4-aminophenyl thiocyanate
    • SB75949
    • EN300-08037
    • NSC-227955
    • aniline, 4-thiocyanato-
    • (4-aminophenyl)sulfanylformonitrile
    • Inchi: 1S/C7H6N2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2
    • InChI Key: NJYFRQQXXXRJHK-UHFFFAOYSA-N
    • SMILES: S(C#N)C1C=CC(=CC=1)N

Computed Properties

  • Exact Mass: 150.02528
  • Monoisotopic Mass: 150.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 141
  • 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: 1.8
  • Topological Polar Surface Area: 75.1A^2

Experimental Properties

  • Density: 1.2162 (rough estimate)
  • Melting Point: 142°C
  • Boiling Point: 314.5°C at 760 mmHg
  • Flash Point: 144°C
  • Refractive Index: 1.5500 (estimate)
  • PSA: 49.81
  • LogP: 2.42318

(4-aminophenyl)sulfanylformonitrile Security Information

  • Hazardous Material transportation number:UN 2811
  • Packing Group:III
  • Hazard Level:6.1(b)
  • HazardClass:6.1(b)
  • PackingGroup:III

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(4-aminophenyl)sulfanylformonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:2987-46-4)4-Thiocyanatoaniline
Order Number:A928928
Stock Status:in Stock
Quantity:10g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 14:55
Price ($):2876.0

(4-aminophenyl)sulfanylformonitrile Related Literature

Additional information on (4-aminophenyl)sulfanylformonitrile

Introduction to (4-Aminophenyl)Sulfanylformonitrile (CAS No: 2987-46-4)

The compound (4-Aminophenyl)Sulfanylformonitrile, with the CAS registry number 2987-46-4, is a significant molecule in the field of organic chemistry and materials science. This compound, also referred to as 4-aminothiophenyl formonitrile, has garnered attention due to its unique structural properties and potential applications in various industries. The molecule consists of a benzene ring substituted with an amino group (-NH?) at the para position and a sulfanylformonitrile group (-SCN), making it a versatile building block for further chemical transformations.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of (4-Aminophenyl)Sulfanylformonitrile through various methodologies, including nucleophilic substitution and coupling reactions. These methods have not only improved the yield but also enhanced the purity of the compound, making it more accessible for research and industrial applications. The compound's ability to undergo further functionalization has been exploited in the development of advanced materials, such as polymer additives and biomedical polymers, which are increasingly sought after in modern industries.

The structural integrity of (4-Aminophenyl)Sulfanylformonitrile is characterized by its aromatic stability and the presence of reactive functional groups, which contribute to its reactivity in various chemical reactions. The sulfanyl group (-S-) acts as a nucleophile, enabling it to participate in substitution reactions, while the cyano group (-CN) serves as an electron-withdrawing group, influencing the electronic properties of the molecule. This dual functionality makes it a valuable intermediate in the synthesis of complex organic molecules, including pharmaceutical agents and agrochemicals.

Recent studies have highlighted the potential of (4-Aminophenyl)Sulfanylformonitrile in drug discovery, particularly in the development of anti-inflammatory agents and antioxidants. Researchers have demonstrated that the compound exhibits significant biological activity due to its ability to interact with key cellular pathways involved in inflammation and oxidative stress. Furthermore, its role as a precursor in the synthesis of bioactive compounds has been extensively explored, paving the way for novel therapeutic interventions.

In terms of industrial applications, (4-Aminophenyl)Sulfanylformonitrile has found utility in the production of high-performance polymers and composites. Its ability to form stable covalent bonds with other monomers has led to its use in creating materials with enhanced mechanical strength and thermal stability. These properties are particularly advantageous in aerospace and automotive industries, where lightweight yet durable materials are highly desirable.

The synthesis of (4-Aminophenyl)Sulfanylformonitrile involves a series of well-defined steps that ensure high purity and reproducibility. One common approach involves the reaction of 4-aminophenol with thiourea under specific conditions, followed by subsequent transformations to introduce the cyano group. This multi-step synthesis process is optimized to minimize side reactions and maximize yield, making it suitable for large-scale production.

From an environmental perspective, researchers have been exploring greener synthesis routes for (4-Aminophenyl)Sulfanylformonitrile, focusing on reducing waste generation and improving energy efficiency. The use of catalytic systems and solvent-free conditions has shown promise in achieving sustainable production methods without compromising product quality.

In conclusion, (4-Aminophenyl)Sulfanylformonitrile (CAS No: 2987-46-4) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties, coupled with ongoing advancements in synthetic methodologies, continue to expand its potential in both academic research and industrial settings. As new applications emerge, this compound is poised to play an increasingly important role in shaping future innovations across various sectors.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2987-46-4)4-Thiocyanatoaniline
A928928
Purity:99%
Quantity:10g
Price ($):2876.0
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