Cas no 5443-88-9 (6-(prop-2-en-1-ylsulfanyl)-9H-purine)

6-(Prop-2-en-1-ylsulfanyl)-9H-purine is a purine derivative featuring an allylthio substituent at the 6-position, offering versatile reactivity for further functionalization. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of nucleoside analogs and heterocyclic compounds. The allylthio group enhances its utility in cross-coupling reactions and thiol-ene click chemistry, enabling precise modifications for pharmaceutical and biochemical applications. Its purine core ensures compatibility with biologically relevant systems, making it suitable for research in medicinal chemistry and drug discovery. The compound's stability and synthetic flexibility underscore its importance as a building block for advanced molecular architectures.
6-(prop-2-en-1-ylsulfanyl)-9H-purine structure
5443-88-9 structure
Product Name:6-(prop-2-en-1-ylsulfanyl)-9H-purine
CAS No:5443-88-9
MF:C8H8N4S
MW:192.240919113159
CID:371978
PubChem ID:3633259
Update Time:2025-10-15

6-(prop-2-en-1-ylsulfanyl)-9H-purine Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine,6-(2-propen-1-ylthio)-
    • 6-ALLYLTHIOPURINE
    • 6-prop-2-enylsulfanyl-7H-purine
    • 6-S-ALLYLTHIOPURINE
    • 6-(Allylthio)purine
    • 6-(prop-2-en-1-ylsulfanyl)-9H-purine
    • 6-Allylmercapto-7(9)H-purin
    • 6-allylmercapto-7(9)H-purine
    • 6-allylsulfanylpurine
    • Purine,6-(allylthio)
    • 1H-Purine, 6-(2-propenylthio)-
    • HMS3439N12
    • 6-allylsulfanyl-7H-purine
    • UNII-U970KW3XPF
    • CCG-130488
    • CHEMBL4090668
    • Purine,6-(allylthio)-
    • DTXSID70394504
    • SCHEMBL10426488
    • AKOS003244622
    • 6-(2-Propen-1-ylthio)-9H-purine
    • AKOS015858236
    • FT-0635714
    • 6-(allylthio)-9H-purine
    • A830179
    • Q27148987
    • NSC-19862
    • CHEBI:79850
    • Purine, 6-(allylthio)-
    • 5443-88-9
    • 9H-Purine, 6-(2-propen-1-ylthio)-
    • U970KW3XPF
    • NSC19862
    • Inchi： 1S/C8H8N4S/c1-2-3-13-8-6-7(10-4-9-6)11-5-12-8/h2,4-5H,1,3H2,(H,9,10,11,12)
    • InChI Key： GXEFKTJFALYILZ-UHFFFAOYSA-N
    • SMILES： S(CC=C)C1C2=C(N=CN=1)N=CN2

Computed Properties

  • Exact Mass: 192.04700
  • Monoisotopic Mass: 192.046967
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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: 1.7
  • Topological Polar Surface Area: 79.8

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 444.9±35.0 °C at 760 mmHg
  • Flash Point: 222.8±25.9 °C
  • Refractive Index: 1.722
  • PSA: 79.76000
  • LogP: 1.63100
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

6-(prop-2-en-1-ylsulfanyl)-9H-purine Security Information

6-(prop-2-en-1-ylsulfanyl)-9H-purine Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-(prop-2-en-1-ylsulfanyl)-9H-purine Pricemore >>

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