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CS-W001157 4
Total: USD 88.00

8-(p-​Sulfophenyl)​theophylline

  • CAS No. 80206-91-3

  • Cat. No. CS-0103565
  • Purity≥98%
  • MDL No.MFCD00545717

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

8-(p-​Sulfophenyl)​theophylline|CS-0103565

Structure of 80206-91-3

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General Information

  • CAS No. 80206-91-3
  • Cat. No. CS-0103565
  • Purity ≥98%
  • MDL No. MFCD00545717
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂N₄O₅S
  • Molecular Weight 336.32
  • Synonym(s) 8-SPT; 8-pSPT
  • SMILES O=C1C=2NC(=NC2N(C(=O)N1C)C)C=3C=CC(=CC3)S(=O)(=O)O

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   127.05
  • LogP   -0.126
  • H_Acceptors   7
  • H_Donors   2
  • Rotatable_Bonds   2

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