Cas no 5443-87-8 (9H-Purine,6-[(1-methylethyl)thio]-)

9H-Purine,6-[(1-methylethyl)thio]- structure
5443-87-8 structure
Product Name:9H-Purine,6-[(1-methylethyl)thio]-
CAS No:5443-87-8
MF:C8H10N4S
MW:194.256799221039
CID:385753
PubChem ID:3698120
Update Time:2025-04-19

9H-Purine,6-[(1-methylethyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine,6-[(1-methylethyl)thio]-
    • 6-propan-2-ylsulfanyl-7H-purine
    • 6-(Isopropylthio)purine
    • 6-(methylethylthio)purine
    • 6-isopropylmercapto-7(9)H-purine
    • AC1MWE8O
    • C15347
    • NSC19861
    • SureCN754882
    • UNII-2X1HOW5AEU
    • Q27148985
    • CHEBI:79849
    • 1H-Purine,6-((1-methylethyl)thio)-
    • SCHEMBL754882
    • 1H-Purine, 6-[(1-methylethyl)thio]-
    • 2X1HOW5AEU
    • 5443-87-8
    • NSC-19861
    • 9H-Purine, 6-((1-methylethyl)thio)-
    • AKOS002203773
    • DTXSID10395196
    • Inchi: 1S/C8H10N4S/c1-5(2)13-8-6-7(10-3-9-6)11-4-12-8/h3-5H,1-2H3,(H,9,10,11,12)
    • InChI Key: AKRVBASKTIDYRB-UHFFFAOYSA-N
    • SMILES: S(C1=C2C(=NC=N1)N=CN2)C(C)C

Computed Properties

  • Exact Mass: 194.06300
  • Monoisotopic Mass: 194.06261751g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 176
  • 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: 1.9
  • Topological Polar Surface Area: 79.8?2

Experimental Properties

  • PSA: 79.76000
  • LogP: 1.85340

9H-Purine,6-[(1-methylethyl)thio]- 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%

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