Theophylline, 8-(3-piperidylmethyl)thio-6-thio-

Base Information

• Chemical Name: Theophylline, 8-(3-piperidylmethyl)thio-6-thio-
• CAS No.: 73908-83-5
• Molecular Formula: C13H19N5OS2
• Molecular Weight: 0
• Nikkaji Number: J66.402B
• Mol file: 73908-83-5.mol

Synonyms:73908-83-5;6-Thio-8-(3'-piperidinomethyl)thiotheophylline;Theophylline, 8-(3-piperidylmethyl)thio-6-thio-;Uric acid, 1,3-dimethyl-8-(3-piperidylmethyl)-6-thio-;C13H18N5OS2;C13-H18-N5-O-S2;LS-149656;8-[(3-Piperidylmethyl)thio]-6-thiotheophylline;2H-Purin-2-one, 1,3,6,7-tetrahydro-1,3-dimethyl-8-[(3-piperidinylmethyl)thio]-6-thioxo-

Chemical Property of Theophylline, 8-(3-piperidylmethyl)thio-6-thio-

Chemical Property:

• Vapor Pressure: 3.73E-12mmHg at 25°C
• Boiling Point: 550.2°C at 760 mmHg
• Flash Point: 286.6°C
• PSA: 125.03000
• Density: 1.44g/cm³
• LogP: 1.75010
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 325.10310259
• Heavy Atom Count: 21
• Complexity: 435

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)SCC3CCCNC3

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