Cas no 28456-53-3 (6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one)

6-(Propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one is a heterocyclic compound featuring a pyrimidinone core with a thione functional group at the 2-position and an isopropyl substituent at the 6-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The thione group enhances its utility as a ligand in coordination chemistry, while the pyrimidinone scaffold offers potential biological activity. Its stability under standard conditions and compatibility with various reaction conditions further underscore its versatility in research and industrial applications.
6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one structure
28456-53-3 structure
Product Name:6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
CAS No:28456-53-3
MF:C7H10N2OS
MW:170.232100009918
MDL:MFCD11899438
CID:267950
PubChem ID:3034510
Update Time:2025-10-29

6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone,2,3-dihydro-6-(1-methylethyl)-2-thioxo-
    • 6-propan-2-yl-2-sulfanylidene-1H-pyrimidin-4-one
    • 6-isopropyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
    • 6-Isopropylthiouracil
    • AC1MHXND
    • CTK4G1460
    • F1967-0507
    • F2135-0908
    • NSC58556
    • SureCN1706178
    • 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
    • NSC 58556
    • 2,3-Dihydro-6-(1-methylethyl)-2-thioxo-4(1H)-pyrimidione
    • DTXSID40182652
    • 6-isopropyl-2-mercaptopyrimidin-4(3H)-one
    • CS-0078740
    • AKOS005208125
    • MFCD11899438
    • AKOS005173752
    • 6-ISOPROPYL-2-MERCAPTOPYRIMIDIN-4-OL
    • D73968
    • 6-(propan-2-yl)-2-sulfanyl-3,4-dihydropyrimidin-4-one
    • MFCD13248775
    • 4(1H)-Pyrimidione, 2,3-dihydro-6-(1-methylethyl)-2-thioxo-
    • ZLFICLXWPLFISK-UHFFFAOYSA-N
    • 28456-53-3
    • SCHEMBL14514287
    • NSC-58556
    • 6-Isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
    • LS-04112
    • 2,3-Dihydro-6-(1-methylethyl)-2-thioxo-4(1H)-pyrimidinone
    • PG8JEY36UB
    • 6-Isopropyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone, AldrichCPR
    • 6-(propan-2-yl)-2-sulfanylpyrimidin-4-ol
    • SCHEMBL1706178
    • EN300-239393
    • AKOS005208126
    • MDL: MFCD11899438
    • Inchi: 1S/C7H10N2OS/c1-4(2)5-3-6(10)9-7(11)8-5/h3-4H,1-2H3,(H2,8,9,10,11)
    • InChI Key: ZLFICLXWPLFISK-UHFFFAOYSA-N
    • SMILES: S=C1NC(C=C(C(C)C)N1)=O

Computed Properties

  • Exact Mass: 170.0515
  • Monoisotopic Mass: 170.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 233
  • 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: 0.8
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 344.1°Cat760mmHg
  • Flash Point: 161.9°C
  • Refractive Index: 1.592
  • PSA: 41.13

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6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one Suppliers

Amadis Chemical Company Limited
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(CAS:28456-53-3)6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
Order Number:A1084856
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 19:22
Price ($):179.0

Additional information on 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

Introduction to 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one (CAS No. 28456-53-3)

6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one, also known by its CAS number 28456-53-3, is a versatile compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of tetrahydropyrimidinones and is characterized by its unique structural features, including a sulfur atom and an isopropyl group. These characteristics contribute to its potential as a lead compound in drug discovery and development.

The molecular structure of 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one has been extensively studied for its pharmacological properties. Recent research has highlighted its potential as a scaffold for the design of novel therapeutic agents. For instance, studies have shown that this compound exhibits promising activity against various biological targets, including enzymes and receptors involved in diseases such as cancer and neurodegenerative disorders.

In the realm of medicinal chemistry, the structural flexibility of 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one allows for the introduction of various functional groups to modulate its biological activity. This property makes it an attractive candidate for structure-activity relationship (SAR) studies. Researchers have utilized this compound as a starting point to synthesize derivatives with enhanced potency and selectivity for specific therapeutic targets.

The synthesis of 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one has been optimized using modern synthetic methods. One common approach involves the condensation of an appropriate aldehyde or ketone with a thiosemicarbazide derivative. This reaction typically proceeds under mild conditions and yields the desired product in good yields. The synthetic route is scalable and can be adapted for large-scale production in pharmaceutical settings.

In addition to its potential as a therapeutic agent, 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one has been investigated for its role in chemical biology. Studies have demonstrated that this compound can serve as a tool to probe biological pathways and mechanisms. For example, it has been used to investigate the interactions between proteins and small molecules in cellular systems. These insights are valuable for understanding disease mechanisms and identifying new drug targets.

The safety profile of 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one has also been evaluated in preclinical studies. Toxicity assessments have shown that this compound exhibits low toxicity at therapeutic concentrations. However, as with any new chemical entity (NCE), further safety evaluations are necessary before it can be advanced to clinical trials.

The future prospects for 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one are promising. Ongoing research is focused on optimizing its pharmacological properties and exploring its potential applications in various therapeutic areas. Collaborative efforts between academic institutions and pharmaceutical companies are driving the development of this compound towards clinical applications.

In conclusion, 6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one (CAS No. 28456-53-3) is a promising compound with significant potential in medicinal chemistry and pharmaceutical research. Its unique structural features and favorable biological properties make it an attractive candidate for further development as a therapeutic agent or a tool in chemical biology studies.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:28456-53-3)6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
A1084856
Purity:99%
Quantity:1g
Price ($):179.0
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