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CS-W001157 4
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tert-Butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

  • CAS No. 1065114-25-1

  • Cat. No. CS-0146497
  • Molecule weight297.37
  • Purity≥98%
  • MDL No.MFCD30179611

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 4-oxo-2-thioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate|CS-0146497

Structure of 1065114-25-1

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General Information

  • CAS No. 1065114-25-1
  • Cat. No. CS-0146497
  • Purity ≥98%
  • MDL No. MFCD30179611
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₉N₃O₃S
  • Molecular Weight 297.37
  • Synonym(s) tert-butyl 4-oxo-2-thioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
  • SMILES O=C(N1CCC(NC2=S)=C(C(N2)=O)CC1)OC(C)(C)C

Safety Information

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Computational Chemistry Data

  • TPSA   78.19
  • LogP   1.76819
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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