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

Theophylline, 8-dodecylthio-2-thio-

Base Information
  • Chemical Name:Theophylline, 8-dodecylthio-2-thio-
  • CAS No.:6466-12-2
  • Molecular Formula:C19H32 N4 O S2
  • Molecular Weight:0
  • Hs Code.:2933990090
  • NSC Number:97996
  • UNII:NDU4NEG8F2
  • DSSTox Substance ID:DTXSID80214926
  • Nikkaji Number:J15.109B
  • Wikidata:Q83090848
  • Mol file:6466-12-2.mol
Theophylline, 8-dodecylthio-2-thio-

Synonyms:Theophylline, 8-dodecylthio-2-thio-;NDU4NEG8F2;2-Thio-8-(N-dodecylthio)theophylline;Theophylline, (8-dodecylthio)-2-thio-;6466-12-2;NSC-97996;Theophylline, 8-(dodecylthio)-2-thio-;8-(Dodecylthio)-1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one;2-Thio-8-n-dodecylthiotheophylline;NSC97996;NSC 97996;BRN 1160057;UNII-NDU4NEG8F2;Uric acid, 1,3-dimethyl-8-dodecylthio-2-thio-;DTXSID80214926;Uric acid,3-dimethyl-(8-dodecylthio)-2-thio-;6H-PURIN-6-ONE, 8-(DODECYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-

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Chemical Property of Theophylline, 8-dodecylthio-2-thio-
Chemical Property:
  • Vapor Pressure:2.14E-12mmHg at 25°C 
  • Boiling Point:555.9°C at 760 mmHg 
  • Flash Point:290°C 
  • PSA：113.00000 
  • Density:1.18g/cm3 
  • LogP:5.34260 
  • XLogP3:6.6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:12
  • Exact Mass:396.20175400
  • Heavy Atom Count:26
  • Complexity:463
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCCCCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C
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