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Technology Process of Theophylline, 8-(4-pyridylmethyl)thio-6-thio-

Theophylline, 8-(4-pyridylmethyl)thio-6-thio-

Base Information
  • Chemical Name:Theophylline, 8-(4-pyridylmethyl)thio-6-thio-
  • CAS No.:6493-45-4
  • Molecular Formula:C13H13 N5 O S2
  • Molecular Weight:319.4052
  • Hs Code.:
  • NSC Number:98000
  • UNII:PV0B8G6H7D
  • DSSTox Substance ID:DTXSID50215243
  • Nikkaji Number:J20.528A
  • Wikidata:Q83091223
  • Mol file:6493-45-4.mol
Theophylline, 8-(4-pyridylmethyl)thio-6-thio-

Synonyms:6493-45-4;Theophylline, 8-(4-pyridylmethyl)thio-6-thio-;NSC 98000;BRN 1156560;PV0B8G6H7D;6-Thio-8-(4'-pyridylmethyl)thiotheophylline;NSC-98000;Uric acid, 1,3-dimethyl-8-(4-pyridylmethyl)thio-6-thio-;Theophylline, 8-[(4-pyridylmethyl)thio]-6-thio-;1,3,6,9-Tetrahydro-1,3-dimethyl-8-((4-pyridinylmethyl)thio)-6-thioxo-2H-purin-2-one;THEOPHYLLINE, 8-((4-PYRIDYLMETHYL)THIO)-6-THIO-;NSC98000;UNII-PV0B8G6H7D;DTXSID50215243;LS-149672;8-[(4-Pyridylmethyl)thio]-6-thiotheophylline;6-Thio-8-[(4'-pyridylmethyl)thio]theophylline;Uric acid,3-dimethyl-8-[(4-pyridylmethyl)thio]-6-thio-;2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((4-PYRIDINYLMETHYL)THIO)-6-THIOXO-

Suppliers and Price of Theophylline, 8-(4-pyridylmethyl)thio-6-thio-
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The product has achieved commercial mass production*data from LookChem market partment
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Chemical Property of Theophylline, 8-(4-pyridylmethyl)thio-6-thio-
Chemical Property:
  • Vapor Pressure:1.33E-13mmHg at 25°C 
  • Boiling Point:583.5°Cat760mmHg 
  • Flash Point:306.7°C 
  • PSA：125.89000 
  • Density:1.54g/cm3 
  • LogP:2.01690 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:319.05615240
  • Heavy Atom Count:21
  • Complexity:429
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CC=NC=C3
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