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Technology Process of Theophylline, 8-cyclohexylthio-2-thio-

Theophylline, 8-cyclohexylthio-2-thio-

Base Information
  • Chemical Name:Theophylline, 8-cyclohexylthio-2-thio-
  • CAS No.:6466-13-3
  • Molecular Formula:C13H18 N4 O S2
  • Molecular Weight:310.4382
  • Hs Code.:2933990090
  • NSC Number:95899
  • UNII:I71NWA18JB
  • DSSTox Substance ID:DTXSID40214927
  • Nikkaji Number:J15.125D
  • Wikidata:Q83090849
  • Mol file:6466-13-3.mol
Theophylline, 8-cyclohexylthio-2-thio-

Synonyms:Theophylline, 8-cyclohexylthio-2-thio-;6466-13-3;2-Thio-8-cyclohexylthiotheophylline;I71NWA18JB;Theophylline, 8-(cyclohexylthio)-2-thio-;NSC-95899;8-(Cyclohexylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one;8-(Cyclohexylthio)-1,3-dimethyl-2-thioxo-2,3-dihydro-1H-purin-6(9H)-one;NSC 95899;BRN 1144724;NSC95899;Uric acid, 8-cyclohexylthio-1,3-dimethyl-2-thio-;UNII-I71NWA18JB;SCHEMBL4226651;DTXSID40214927;6H-PURIN-6-ONE, 8-(CYCLOHEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-

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Total 4 raw suppliers
Chemical Property of Theophylline, 8-cyclohexylthio-2-thio-
Chemical Property:
  • Vapor Pressure:2.85E-11mmHg at 25°C 
  • Boiling Point:528.9°Cat760mmHg 
  • Flash Point:273.6°C 
  • PSA：113.00000 
  • Density:1.42g/cm3 
  • LogP:2.75440 
  • XLogP3:2.9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:2
  • Exact Mass:310.09220356
  • Heavy Atom Count:20
  • Complexity:413
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SC3CCCCC3
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