7-(1,3-Thiazolidin-2-ylmethyl)theophylline

Base Information

• Chemical Name: 7-(1,3-Thiazolidin-2-ylmethyl)theophylline
• CAS No.: 103814-80-8
• Molecular Formula: C11H15 N5 O2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80908616
• Nikkaji Number: J516.095B
• Mol file: 103814-80-8.mol

Synonyms:7-(1,3-thiazolidin-2-ylmethyl)theophylline

Chemical Property of 7-(1,3-Thiazolidin-2-ylmethyl)theophylline

Chemical Property:

• Vapor Pressure: 1.23E-12mmHg at 25°C
• Boiling Point: 561.5°Cat760mmHg
• Flash Point: 293.4°C
• PSA: 99.15000
• Density: 1.62g/cm³
• LogP: -0.57500
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 281.09464591
• Heavy Atom Count: 19
• Complexity: 407

Purity/Quality:

7-(1,3-THIAZOLIDIN-2-YLMETHYL)THEOPHYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3NCCS3