Theophylline, 8-(tetrahydrofurfuryl)thio-6-thio-

Base Information

• Chemical Name: Theophylline, 8-(tetrahydrofurfuryl)thio-6-thio-
• CAS No.: 6493-47-6
• Molecular Formula: C12H16 N4 O2 S2
• Molecular Weight: 312.411
• NSC Number: 98002
• Nikkaji Number: J54.382I
• ChEMBL ID: CHEMBL1730245
• Mol file: 6493-47-6.mol

Synonyms:Theophylline, 8-(tetrahydrofurfuryl)thio-6-thio-;6493-47-6;NSC 98002;6-Thio-8-(2'-tetrahydrofurfuryl)thiotheophylline;BRN 1150036;MLS002703425;Uric acid, 1,3-dimethyl-6-thio-8-(tetrahydrofurfuryl)thio-;Theophylline, 8-[(tetrahydrofurfuryl)thio]-6-thio-;NSC98002;CHEMBL1730245;NSC-98002;SMR001570144;LS-149675;8-[(Tetrahydrofurfuryl)thio]-6-thiotheophylline;Uric acid,3-dimethyl-6-thio-8-(tetrahydrofurfuryl)thio-

Chemical Property of Theophylline, 8-(tetrahydrofurfuryl)thio-6-thio-

Chemical Property:

• Vapor Pressure: 8.12E-12mmHg at 25°C
• Boiling Point: 542.1°Cat760mmHg
• Flash Point: 281.7°C
• PSA: 122.23000
• Density: 1.5g/cm³
• LogP: 1.60070
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 312.07146811
• Heavy Atom Count: 20
• Complexity: 422

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3CCCO3

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