Cas no 83277-80-9 (6-n-Heptylmercaptopurine)

6-n-Heptylmercaptopurine structure
6-n-Heptylmercaptopurine structure
Product Name:6-n-Heptylmercaptopurine
CAS No:83277-80-9
MF:C12H18N4S
MW:250.363120555878
CID:729345
PubChem ID:95192
Update Time:2025-04-19

6-n-Heptylmercaptopurine Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine,6-(heptylthio)-
    • 6-heptylsulfanyl-7H-purine
    • 6-N-HEPTYLMERCAPTOPURINE
    • 6-(Heptylthio)-1H-purine
    • 6-heptylmercapto-7(9)H-purine
    • EINECS 280-364-7
    • Purine,6-(heptylthio)
    • 1H-Purine, 6-(heptylthio)-
    • 6-n-Heptylmercaptopurine, crystalline
    • 6-(Heptylthio)-7H-purine
    • NSC-22778
    • AKOS024319067
    • 6-Heptylmercaptopurine
    • 6-(heptylthio)-9H-purine
    • MFCD00022660
    • Purine, 6-(heptylthio)-
    • NS00038245
    • DTXSID00232243
    • NSC22778
    • NSC 22778
    • SCHEMBL9465617
    • 83277-80-9
    • W-203891
    • FT-0641898
    • AJMDBPAFRPBUDE-UHFFFAOYSA-N
    • 6-n-Heptylmercaptopurine
    • Inchi: 1S/C12H18N4S/c1-2-3-4-5-6-7-17-12-10-11(14-8-13-10)15-9-16-12/h8-9H,2-7H2,1H3,(H,13,14,15,16)
    • InChI Key: AJMDBPAFRPBUDE-UHFFFAOYSA-N
    • SMILES: S(C1=C2C(=NC=N1)N=CN2)CCCCCCC

Computed Properties

  • Exact Mass: 250.12500
  • Monoisotopic Mass: 250.125217
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 215
  • 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: 3.5
  • Topological Polar Surface Area: 79.8

Experimental Properties

  • Color/Form: crystallization
  • Density: 1.24
  • Boiling Point: 369.9°C at 760 mmHg
  • Flash Point: 177.5°C
  • Refractive Index: 1.64
  • PSA: 79.76000
  • LogP: 3.41540

6-n-Heptylmercaptopurine Security Information

  • WGK Germany:3

6-n-Heptylmercaptopurine 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-n-Heptylmercaptopurine Pricemore >>

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